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Innovative Modeling and Simulation Research in the Commonwealth of Virginia

A comprehensive document that presents an accumulation of reports from various state institutions in fulfillment of the Offices of Educations and Technologys pursuit in the prioritization of M&S throughout the Commonwealth of Virginia.

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ABSTRACT Governor Robert F. McDonnell, of Virginia, places great emphasis on job creation, economic development as well as higher education. Modeling and Simulation is a growing field of multidisciplinary research that utilizes modeling in creating data sets as well as developing a deeper understanding for them. This growing discipline links all of the Governors primary initiatives mentioned beforehand while also aiding in key decision making. Furthermore, to support further prioritization of Modeling and Simulation, the Commonwealth is making a concerted effort in identifying and promoting University assets that currently perform, develop, and leverage M&S technologies. In this report, various educational institutions across the Commonwealth have supplied reports that summarize their advancements and accomplishments in the field of MODSIM all of which were requested for presentation purposes at a variety of events and business development meetings. Along with them, are personal contacts and narratives of M&S projects.

iii TABLE OF CONTENTS

Abstract Table of Contents Major University MODSIM Resources College of William and Mary Eastern Virginia Medical School George Mason University James Madison University Longwood University Norfolk State University Old Dominion University Southwest Virginia Community College Thomas Nelson Community College University of Mary Washington University of Virginia Rappahannock Community College Virginia Tech Virginia Military Institute Virginia State University Virginia Commonwealth University

ii iii 2 6 19 26 39 40 43 46 58 59 61 63 90 92 112 115 116

2 Major University Based MOD-SIM Resources in the Commonwealth

Colleges and Universities Across the Commonwealth That Conduct M&S Research

Socio-Natural-Engineered Systems Kasnow Institute (GMU) o Applied research yields new insights in areas of national and international security, climate change, humanitarian assistance disaster relief, vehicular traffic control, and human diseases Climate Dynamics Program (GMU) o Ph.D. Program consisting of students conducting extensive research on the prediction and predictability of regional and global weather and climate Hampton Roads Hurricane Evacuation Simulation (ODU)* o ODUs VMASC developed a simulation that replicates multiple Hampton Roads hurricane evacuation scenarios to show the progress and duration of each. Virtual Port Simulation (ODU)* o ODUs VMASC developed a virtual reality simulation to train and educate workers on the operation of various container movement equipment, like cranes and container stackers. Virginia Tech Transportation Institute (VT) o The center is dedicated to conducting research to save lives, save time, and save money in the transportation field by developing and using stateof theart tools, techniques, and technologies to solve transportation challenges.

Economic/Demographic Systems Center for Regional Analysis (GMU) o Conducts research on economic and demographic trends in the Washington metropolitan area and the Commonwealth of Virginia. Information Technology Center for Secure Information Systems (GMU) o Does work in topological vulnerability analysis, cyber attack modeling and analysis, intrusion detection data mining, and visualization for information security. o Its team of CSIS scientists and engineers has developed breakthrough patented technology for cyber attack modeling, analysis, and visualization. Joint Advanced Concepts (ODU)* o In this project, researchers developed an advanced data sharing methodology that allows for the connection of military simulations, military troops in the field, and military command and control systems in a seamless manner among US and coalition forces. Dynamic M/S Systems Medical Virtual Operating Room (ODU)* o The Virtual Operating Room combines live, virtual, and constructive simulation that allows future surgeons to practice surgical and decisionmaking skills in a realistic operating room setting not found in traditional medical school settings. Patient Blood Management Simulator (ODU) * o ODUs VMASC has developed a patient blood management simulation to educate and train anesthesiologists and surgeons on these principles via a case-based simulation tool that tests their medical decision-making process while updating them with the latest techniques in this area. JDRF Metabolic Simulation Core Facility (UVA) o This Simulation Core is charged with further developments of the human metabolic model, and with inclusion of new drugs and medical devices in the simulation platform. EVMS/Sentra Center for Simulation and Immersive Learning (EVMS) o Provides teaching and assessment of communication and clinical skills for health care providers. Each program conducted by the Center is interactive, customized and designed to maximize learning and application of skills. EVMS/Sentara Surgical Skills Center (EVMS)

4 o The mission EVMS/Sentara Center for Surgical Skills is to teach and assess basic and advanced surgical skills. The National Center for Collaboration in Medical Modeling and Simulation o Partnering with VMASC, the vision is to establish NCCMMS as a national leader in fostering collaboration and using simulation to improve health care. To achieve this vision will require a committed partnership among academic institutions, the health care and simulation industries, and the public sector at all levels. Virginia Bioinformatics Institute o Work at VBI involves collaboration in diverse disciplines such as: mathematics, computer science, biology, medicine, pathology, biochemistry, systems biology, statistics, economics, and synthetic biology. Transdisciplinary research at the institute encompasses four scientific research divisions: Advanced Computing and Decision Informatics Laboratories, the Cyberinfrastructure Division, the Biological Systems Division, and the Medical Informatics and Systems Division. Virginia Tech Carilion Research Institute (VT) o The institute provides state-of-the-art facilities for molecular medicine, imaging using lasers, high-power electron beams and magnetic resonance, high-capacity data handling, and human performance analysis. Research Based Computer Consulting UVA Alliance for Computational Science and Engineering o Established in 2008, The University of Virginia Alliance for Computational Science and Engineering (UVACSE) seeks to transform computational research across Grounds. As the need for computational techniques in all disciplines increases, UVACSE serves researchers through education, consultation, and management of shared compute resources. Cross-Campus Grid (UVA) o The XCG brings together resources from around Grounds as well as at some participating external sites. The Grid provides access to a variety of heterogeneous resources (clusters of various sizes, individual parallel computers, and even a few desktop computers) through a standard interface, and leverages UVas investment in hardware and making it possible for large-scale high-throughput simulations to be run at a fraction of the typical investment necessary. Miscellaneous Computational Fluid Dynamics Center (GMU) o The group is not only active in the development of methods, tools and codes for modeling and simulation in these areas, but also actively contributes to the advancement of knowledge in these fields by using a computational sciences approach. Institute for Critical Technology (VT)

5 o The Institute for Critical Technology and Applied Science at Virginia Tech supports and promotes cutting edge research at the intersection of engineering, science and medicine. o Using powerful, state-of-the-art, parallel supercomputer systems available to Virginia Tech researchers, these cutting-edge M&S programs address fundamental and applied topics ranging from computational biology probing the intracellular mechanisms of cell division and metabolic pathways, to atomistic simulation of nano-scale defects in advanced materials under load. VT Visionarium (VT) o We focus on adoption of supercomputing and visual analysis tools to advance science, engineering, and education. Through our educational and support services, we boost access to and adoption of cutting-edge tools that integrate with researchers data, questions, and workflows. Creative Gaming & Simulation Lab (NSU) o The work is centered around the research and development in areas that include game-based and interactive web-based applications as well as interactive training solutions for education, industry, and government. The Labs research focus is on the design of innovative solutions that incorporate embedded assessment in the implementation of these educational and training tools.

Schools Offering M/S Degrees Thomas Nelson Community College: A.S. Engineering, A.A.S. Mechanical Engineering Technology (offering specializations in M&S) Old Dominion University: B.S., M.S., PhD in M&S

*Indicates VMASC Project

6 THE COLLEGE OF WILLIAM AND MARY Modeling and simulation activities form a vital segment of research conducted at the College of William & Mary. The College maintains a computing center that both provides computational resources for modeling and simulation efforts, and also motivates research. Pertinent research is focused in the Virginia Institute of Marine Science (VIMS) which houses William & Marys School of Marine Science; and a variety of departments that support faculty whose research focus is modeling and simulation. Computational Facilities for Modeling and Simulation SciClone Points of Contact: Dr. Dennis Manos dmanos@wm.edu, 757-871-9581 , Dr. Thomas Crockett, twcroc@wm.edu, 757-221-2762, or Dr. Eugene Roche, earoch@wm.edu, 757-221-1879. William & Mary houses two major computing facilities that support modeling and simulation, the SciClone cluster and the CPD cluster, which resides at the Colleges Applied Research Center (ARC) in Newport News. In addition, several smaller sub-clusters of computers are devoted to specific research activities at the Virginia Institute of Marine Science and in the Physics and Applied Science departments. The SciClone computing complex is operated as a College-wide resource by the High Performance Computing Group within the Office of Information Technology. SciClone organizes the hardware assets above into a tightly-integrated "cluster of clusters" with shared storage and networking. Accounts are available to anyone at the College with dataor computation-intensive projects. The system is also used for instructional purposes by several departments. The heaviest usage in recent years has come from VIMS, Physics, Applied Science, and Mathematics, with additional projects from Psychology, Economics, and Computer Science. CPD Points of Contacts: Dr. Henry Krakauer, hxkrak@wm.edu, 757-221-3520 or Dr. Eric Walter, ejwalt@wm.edu, 757-269-5382. The CPD cluster assets at the Applied Research Center (ARC), are the primary engine for the Center for Piezoelectric Materials by Design, a large-scale, multi-university effort funded by the DoD through the Navy to compute the properties of potential materials in advance of their actual synthesis. This effort is coordinated by Professor Henry Krakauer and Professor Shiwei Zhang of the William and Mary Physics Department. The Center for Geospatial Analysis Point of contact: Stewart E. Hamilton, GIS Center Director, 757-221-2304 sehamilton@wm.edu

7 The Center for Geospatial Analysis was launched in 2008 with the goal of integrating GIS across the W&M curriculum and providing student and faculty access to GIS hardware, software, and expertise. Our GIS courses are available to undergraduate majors in any program and to graduate students. Our GIS workshops are open to faculty, staff, and students free of charge. Students of all backgrounds utilize GIS across campus, including undergraduate students majoring in environmental science and policy, geology, history, business, sociology, biology, anthropology; and graduate students focusing in public policy, biology, and marine sciences. Subscription resources available: ArcGIS The latest version of ArcGIS, including all extensions, is available to WM faculty and staff for installation on WM owned or leased machines. The latest version of ArcGIS, including all extensions, is available to WM students on almost all campus computer lab machines. This includes the CGA Lab in SWEM, Morton 240, Geology Lab and the Keck Lab. Students enrolled in a GIS course and students requiring ArcGIS to work on a research project have access to a one-year license to the following programs for their home PC or laptop if they meet certain conditions: WIDRISI Taiga and Land Change Modeler for ArcGIS; Surfer: Stereo GIS. Available Open Source GIS The following open source packages are available for use: Qgis; grass; qlandkartegt; gpsbabel/gebabbel; e00 compression; thuban; saga; marble; josm; mapserver-bin

8 Environmental Modeling and Simulation School of Marine Science: Virginia Institute of Marine Science (VIMS) Coastal oceanography increasingly relies on computationally intensive data assimilative modeling. Improved representation of topographic features and small-scale physics in numerical models can greatly increase their skill in coastal waters. Interdisciplinary models that couple coastal ocean circulation with biological, geological, atmospheric, and chemical processes are making significant headway. To exploit these advances, VIMS researchers rely on finite difference and finite element based numerical solutions of the conservation of mass and momentum equations along with the transport equation, allowing VIMS to address the following computationally intensive interdisciplinary coastal oceanography problems: Storm surge and inundation modeling. Based on long-term measurements, the Hampton Roads area has the second highest rate of local sea level rise in the US (second only to the Mississippi Delta region), and the economic interests of the area will therefore be increasingly impacted by storm surges in the coming decades. Additionally, coastal populations are increasing and climatologists suggest that we are entering a period of severe storms. These all indicate the need to improve storm surge warning and prediction systems based on state-of-the-art numerical models. Such models require large model domains and very high-resolution grids. Professor Harry Wang, and his research group at VIMS are developing high resolution, efficient models to simulate storm surge and inundation around Chesapeake Bay. The storm surge code ELCIRC (Eulerian Lagrangian Circulation) uses an unstructured grid capable of resolving complex shorelines and bathymetry (see Fig.1).

Figure 1-CWM. Unstructured model grid used by ELCIRC to estimate storm surge for Chesapeake Bay, which includes 120K cells to represent the bay; 300K cells to represent the inter-tidal zone; and 30K cells to represent the coastal ocean.

Storm surge estimates made with this grid and model successfully matched observations taken during Hurricanes Floyd (9/99), Isabel (9/03), Noreaster Ernesto (9/06; Gong et al., 2009), and recently Hurricane Irene (8/11). Specifically, the model captured the peak surge, as well as the surge profile, timing, and phases (R2 correlation coefficients >0.8; max. error < 15 cm); and simulated essential features of these storms, such as the wind induced-set up in the upper Bay. Winds play a dominant role in storm surge, but are difficult to prescribe accurately in coastal areas. Dr. Wangs group is experimenting with coupling the storm surge models to different atmospheric weather models that provide enhanced skill for wind and precipitation predictions. High-resolution grids (O(10m)) are now routinely generated at VIMS and are being used to develop predictive models for flooding of urban areas. Dr. Wangs group developed a model grid for Alexandria, VA that resolved the river shoreline, island, highway, and large buildings such as the Pentagon. The Maximum Envelope of Water map during Hurricane Isabel generated for Alexandria demonstrated the models ability to simulate flooding on a street level scale.

10 Water quality. The Chesapeake Bay and its many tributaries endure pollution stresses from air, water and land. Understanding the sustainability and resilience of the Bay under these conditions, and evaluating restoration efforts will help us evaluate the impacts of land-use and climate changes. VIMS scientists, led by Associate Research Professor Jian Shen and Professor Harry Wang, run coupled 3D hydrodynamic/eutrophication models for Chesapeake Bay. These simulations use 24 state variables to represent nutrients and organic materials, and 21 state variables for sediment processes; and predict summertime bay wide nutrient levels, including dissolved oxygen. The water quality model includes organic carbon cycling to predict the transport and fate of pollutants such as PCBs (polychlorinated biphenyls). VIMS investigators are considering how climate and water level changes may affect salinity inside the Bay. This requires more than 10 years simulation with multiple scenarios to cover long-term hydrologic variations (Fig. 2), and indicates that salinity differences due to sea level rise along the Chesapeake may be significant.

Figure 2-CWM: Salinity difference estimated due to sea level rise along the Chesapeake Bay during the dry season for a 50cm sea level rise scenario by 2100. Bold line represents 1 part-per-thousand (ppt).

Water quality models, by necessity, are strongly driven by observations. Data assimilation melds observations with numerical models, increasing the value of the data, but is computationally intensive, typically consisting of an optimization loop surrounding a forward simulation. The latest variational adjoint data assimilation methods, along with direct optimization methods, are used in VIMS water quality models to improve their accuracy and parameter selection. One important water quality modeling activity at VIMS is to provide advisory services for the Commonwealth of Virginia and to local governments. Dr. Shen has developed various numerical models with multiple scales and he has used water quality and pollutant transport models to solve environmental problems in the Chesapeake Bay region. His water quality models have been used to assist States of Virginia, Maryland, and North Carolina to develop more than 80 Total Maximum Daily Loads (TMDLs) for bacteria, dissolved oxygen, nutrients, metals, and PCB etc. Dr. Shen has also developed numerical models to study oyster larval transport processes and to perform metapopulation analysis to assist Virginia Marine Resources Commission (VMRC), Potomac River Fisheries Commission, Army Crop of Engineer for oyster restoration in the Chesapeake Bay. The larval transport model has been applied to York River, Rappahannock River, James River, Great Wicomico River, and Potomac River.

11 Sediment transport. Within estuaries and the coastal ocean, sediment processes influence the evolution of estuaries, beaches, and inner continental shelves; as well as the transport of nutrients and pollutants. Associate Professor Courtney Harris and her associates at VIMS are developing sediment transport models that include processes such as fluid muds, gravity-driven flows, and bed consolidation. Her research strives to develop methods for predicting water column turbidity and sediment deposition, and relates sediment processes to ecosystem impacts. The spatial variability of freshwater plumes motivated her to adopt three-dimensional numerical models for describing depositional processes in the coastal ocean. Dr. Harris and her group have developed a three-dimensional model of gravity-driven fluid mud transport. Dr. Harris also identified dominant dispersal mechanisms in diverse settings, including the New York Bight, Adriatic Sea, and northern California continental shelf. Recent research focuses on locations that experience high accumulation, such as offshore of sediment-laden rivers in New Zealand and the Po River, Italy. Ongoing research interests include the impact of water column turbidity and depositional processes on ecosystems. Recently funded projects seek to improve sediment resuspension estimates for water quality modeling in Chesapeake Bay, and predictions of hypoxia in the Gulf of Mexico. Another funded project is exploring feedbacks between benthic communities and sediment resuspension in the York River in Virginia. Coastal carbon cycling. Recent studies on continental margin biogeochemistry suggest that continental margins contribute significantly to the global carbon cycle. The VIMS group led by Associate Research Professor Marjorie Friedrichs uses high resolution, large domain models to quantify the variability in coastal carbon fluxes, critical to gaining a better understanding of future changes in the global carbon cycle. Quantifying the variability in carbon fluxes in estuaries and on continental shelves is critical to gaining a better understanding of future changes in the global carbon cycle, and is the overall goal of the NASA funded USECoS (U.S. Eastern Continental Shelf Carbon Cycling) project, for which VIMS serves as the lead institution and colleagues at Old Dominion University (ODU) also participate. This project uses the Regional Ocean Modeling System (ROMS), and a 10 km resolution grid representing the North American eastern coast from Nova Scotia to Florida. This is coupled with a biogeochemical module that simulates multiple nutrient and plankton concentrations, as well as coastal carbon fluxes (Fig. 3).

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Figure 3-CWM. Top: Simulated semi-labile Dissolved Organic Carbon net horizontal flux. Negative values correspond to areas of production and export, and positive values to areas of import. Bottom: Simulated Organic Carbon burial in the sediments. From Hofmann et al., 2008.

To assess the potential impact of climate change on the carbon cycle in this region, a Year 2100 simulation is generated by forcing ROMS with output from the RegCM3 climate model which in turn is forced by the NCAR Climate System Model. VIMS scientists are currently improving the predictive ability of this coupled coastal biogeochemical-circulation model by implementing data assimilation techniques that combine newly available biological observations with state-of-the art models. A primary tool, the variational adjoint method, has proven extremely useful for biogeochemical modeling because of its ability to constrain rate parameters which are required for the quantification of key biogeochemical processes, yet are nearly impossible to measure with current instrumentation (e.g. plankton mortality rates). As a lead-PI in the USECoS project, Friedrichs is investigating how optimal biogeochemical rate parameters and their associated uncertainties vary in space by assimilating satellite ocean color data at a variety of locations along the U.S. eastern continental shelf. Applied Science Department Nondestructive Evaluation (NDE) is an interdisciplinary field of study which is concerned with the development of analysis techniques and measurement technologies for the quantitative characterization of materials, tissues and structures by noninvasive means. Professor Mark Hinders' group in the W&M Applied Science Department specializes in ultrasonic,

13 thermographic, electromagnetic, and optical methods, with applications to intelligent robots, non-invasive medical diagnosis and on-line manufacturing process control, as well as the traditional NDE areas of flaw detection and materials characterization, with counterfeit detection and security screening also of interest. The focus is to bring an understanding of the instrumentation and measurement together with sophisticated models and supercomputer simulations of the physics of the wave-material interactions. Most of the NDE Lab's externallyfunded research projects are in partnership with industry, especially small local companies whenever possible. Professor Hinders also works collaboratively with local NASA, Army and Navy researchers. Professor Dennis Manoss applied science/physics group members have performed computational simulations of plasmas in support of the manufacture of a wide-variety of devices ranging from semiconductors, to high-power ultraviolet lamps, field-emission structures for high-powered microwave tubes. Most recently, visiting scientist co-worker, Dr. Tianming Li, of UESTC, China, is working with Dr. George Neil of JLAB, to numerically render the fundamental physics of permanent magnet wigglers for use in free-electron lasers. Computer Science Department Associate Professor Peter Kemper develops modeling, techniques and tools for a modelbased analysis of dynamic systems. This research applies to the performance and dependability analysis of man-made systems as well as to the modeling of natural phenomena as for the dynamics of Calcium signaling in cells. He currently works on stochastic workload models for storage systems and networks that are subject to long range dependencies. Advances in computer science research heavily rely on simulation and modeling as the effectiveness of new systems and computing paradigms depends on accurate prediction of user perceived performance. Professor Evginia Smirnis research focuses on the use of simulation to evaluate data centers and cloud computing (such as the Amazon Cloud) that are heavily used by both corporations and individuals. This requires the development of new simulation and modeling techniques to best capture customer behavior and traffic phenomena such as workload burstiness that do happen during seasonal sales and breaking news. Professor Smirni is developing innovative techniques to simulate data centers and workloads in order to scale better, achieve power savings without compromising user perceived performance, and further support economies of scale in IT management. This research is currently supported by the National Science Foundation and industry. Assistant Professor Saskia Mordijck uses and develops modeling to interpret and predict the behavior of experimental plasmas in Tokamaks. This research directly contributes to improving physics understanding and solving technical difficulties in making nuclear fusion Energy a viable clean and abundant energy source. Her current activities focus on understanding particle transport and making predictions for future burning Tokamak devices. Professor Andreas Stathopouloss research is on numerical methods and high performance computing. Numerical methods are the essential tools for solving most scientific and

14 engineering problems, especially as computer simulation becomes a necessary complement to traditional experimental methodologies. His research focus has been on numerical linear algebra, in particular solving large linear systems of equations and eigenvalue problems. Such methods are central in problems as diverse as graph partitioning, data mining, stability analysis, queuing theory, physics, chemistry, economics, and many others. He continues to work closely with material scientists and has a current collaboration with lattice quantum chromodynamics physicists at the College of William and Mary and Jefferson Lab (see below). These collaborations have resulted in algorithms and software that have made an impact in the corresponding application fields. Moreover, he has developed a state-of-the-art eigensolver, PRIMME, which is used by many groups around the world. Because of the high computational demands of such applications, Prof. Stathopoulos' research has also focused on the high performance computing aspects in scientific computing. He has worked on parallel computing and on architecture-aware computing. It is now increasingly appreciated that emerging architectures, from desktop computers to exaflop supercomputers, will increasingly require the algorithmic techniques invented for the high-end computing of earlier days. To this end he has recently started a collaboration with the IBM Research Lab in Zurich, Switzerland, focusing on architecture-aware graph partitioning. Department of Mathematics Professor Michael Lewis research focuses on the development of computational methods for solving optimization problems such as those that arise frequently in business, engineering, and science. Optimization is an adjunct to modeling and simulation, particularly when one wishes to control the system being simulated to achieve a particular end. For instance, aircraft makers start with a computational simulation of the flow of air around an aircraft and then augment the simulation with an optimization capability in order to design aircraft with less drag. Optimization is an iterative process: a candidate system design is chosen, then a simulation is conducted to determine the system performance. A new, improved design is then found based on the simulation results. The cycle then repeats. Since the simulation is run multiple times, optimization can be expensive and time-consuming, highlighting a need for efficient optimization methods. In addition, some optimization methods require significant extensions to the underlying simulation capability in order to apply them, which can involve a substantial human effort. Professor Lewis research focuses on developing computational techniques for optimization that address these issues. Part of his work examines on a class of techniques known as direct search methods, which are deceptively simple yet effective algorithms that have the advantage of being straightforward to apply in real-world applications. Another part of his research involves specific applications. In this work, he takes advantage of the specific problem structure in order to develop more efficient optimization techniques. Examples of his applications include developing an approach to determine protein structure based on minimizing the internal energy associated with a molecular configuration. The structure of proteins plays a central role in understanding diseases and designing drugs to combat them. Another application he is investigating with collaborators at the Department of Energy is the design of nanoporous materials for energy storage (e.g., supercapacitors for electricity storage). Professor Lawrence Leemis is the co-author of the textbook titled "Discrete-Event Simulation: A First Course" with Dr. Steve Park published by Prentice-Hall in 2006. This textbook and the

15 associated software has been adopted in numerous simulation classes taught in engineering, computer science, and mathematics departments world-wide. He has also published research articles and book chapters concerning various simulation analysis techniques such as random variate generation and the estimation and generation of nonhomogeneous Poisson processes. His three other textbooks, namely, Reliability: Probabilistic Models and Statistical Methods, Probability, and Computational Probability: Algorithms and Applications in the Mathematical Sciences, all make use simulation methodology. Dr. Leemis has taught an introductory tutorial known as "Simulation 101" at the Winter Simulation Conference from 2006-2011, along with serving on a panel. He has been a founding member of the advisory board for the Virginia Modeling, Analysis, and Simulation Center (VMASC). Department of Physics The development and improvement of energy related materials is a tremendous challenge for computational and theoretical science. Steven Chu, United States Secretary of Energy, has emphasized the need for the US to quickly ramp up its clean-energy investments to meet the competition from China and other nations that are moving more nimbly to become suppliers to the rapidly growing world market for renewable and other non-fossil-fuel energy sources. (Physics Today, April 2011, pg. 26.) In the same article, former governor Arnold Schwarzenegger is quoted as stating that the green economy is the way to keep America competitive abroad and to provide economic growth and jobs at home. The road to success in these areas is to develop new materials for the energy economy, including hydrogen storage systems, more efficient solar cells and electric vehicle batteries. Often energy-related materials do not fit any set of traditional simulation method paradigms. The recent progress in the fabrication of novel carbon based materials such as graphene has opened completely new possibilities for the development of novel materials for energy and electronic materials, and new challenges for computational physics. Professors Henry Krakauer and Shiwei Zhang at the College of William and Mary have developed a computational method based on quantum Monte Carlo (QMC) simulations that can accurately predict the properties of such materials. The Professors lead a multi-university consortium (Professor Enrico Rossi has developed efficient computational models to describe the properties of materials like graphene in realistic conditions in which disorder effects are unavoidable. Coupled with their experience in calculations based on the more standard approaches, the group has the broad range of computational capabilities and expertise needed to tackle these problems. Professor Krakauer and Zhang operate the Center for Piezoelectric Materials by Design (CPMD) on behalf of the following participant PIs: Karin Rabe, Rutgers University, Takashi Egami, University of Tennessee, Laurent Ballaiche, University of Arkansas, David Singh, ORNL, Andrew Rappe and Peter Davies, University of Pennsylvania, Ronald Cohen, Carnegie Institution of Washington, Peter Davies, and Raphaelle Resta, University of Trieste, Italy. Professors D. Armstrong, T. Averett, W. Deconinck, K. Griffioen, R. McKeown, and C. Perdrisat focus on Experimental Nuclear and Hadronic Physics, while Professors J. Nelson, M. Kordosky, P. Vahle focus on Experimental High Energy Physics. The large nuclear, hadronic, and high energy physics experiments conducted at the Thomas Jefferson National Accelerator Facility (Jefferson Lab) in Newport News (VA), at Fermilab in Batavia (IL), and at Daya Bay (China) are looking for interesting "signal" events among large numbers of uninteresting "background" events. To develop models

16 that allow for the separation of these signal and background events, we require a thorough understanding of how the energetic particles are modified as they pass through the various active and passive materials of the detectors. Using GEANT, a toolkit for the simulation of the passage of particles through matter, millions of these signal and background events are simulated, often exceeding the number of actual events recorded in these experiments. These simulations, which often run for days or weeks, are performed on the computing clusters at the College of William & Mary and on the supercomputers at the national labs.

Figure 4 In the Qweak experiment at Jefferson Lab, a beam of energetic electrons (indicated by the blue line, traveling from right to left) strikes a hydrogen target (shown on the far right). Using three octagonal collimators (grey structures on the right) and a strong magnet (red structure in the center) the electrons of interest are directed towards the eight detectors (structure on the left). The effects of all materials, including many shield walls and other components that were hidden in this view, have to be carefully simulated using GEANT.

The Department of Energy has listed Grand Challenges for sciences in the next decades. Three of these grand challenges involve control of systems at the atomic level: (1) How do we control material processes at the level of electrons? ; (2) How do remarkable properties of matter emerge from complex correlations of the atomic or electronic constituents and how can we control these properties? ; and (3) How do we characterize and control matter awayespecially very far awayfrom equilibrium? Professor John Delos and his students are carrying out modeling and simulation on control of ultracold atomic systems. Over the past decades, scientists have learned that gases can be cooled by shining laser light on them. If the frequency of light is below the natural frequency at which an atom absorbs light, then the atom can be slowed to very low speeds, and the atom can be trapped. The coldest matter created in the laboratory has temperatures of a few nanokelvin -- a few times billionths of a degree above absolute zero. Gases under such conditions have strange properties. They are subject to the laws of quantum mechanics, which asserts that atoms have a wave nature as well as a particle nature. In experiments, one can see the waves overlapping and interfering.

17 Working together with the experimental group of Professor Seth Aubin, Delos and his students are showing another curious phenomenon. It is easy to transport particles from one reservoir to another if one applies a potential difference (in the case of electrons, an electric potential difference creates a current). However, recent calculations have shown that particles can be transported even without such a bias, by applying oscillating potentials in the junction between the reservoirs. The phenomenon is called Quantum Transport. We have shown that it occurs also in classical systems, and we have developed a simple theory that uses insights from classical transport theory to describe quantum transport. Another longstanding Grand Challenge in DOE, has been to develop a theory for how turbulence, as seen in the interaction of vortices in a fluid flow, transports heat and particles in fusion devices. The theory involves complicated solutions of the non-linear Schrodinger equation, that arises in optics, plasma physics, stormy sea-states, and the evolution of the Bose-Einstein condensates mentioned above. Recent calculations by a Professor Vahala working with a consortium of workers from a number of Universities (Bo Zhang - W&M, Jeffrey Yepez - AFRL, Linda Vahala - ODU, Min Soe - Rogers State Univ., Sean Ziegler HPPTi) examine turbulence in the area of quantum information and quantum computing. Professor Vahalas team has held the record for the largest number of numerical calculations ever consumed in a single unclassified simulation on DOE supercomputers.

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Figure 5 In the first four frames on the left side, one see how a pattern of quantum vortices (a) evolves in time toward a very chaotic state (b) that then regroups to form an inverted pattern (c) on the way toward a recurrence of the initial pattern (d). We note that in classical (non-quantum) systems such a recurrence will not occur in any finite amount of time. The last two frames (e) and (f) show the initial behavior of a pattern with a different initial topology. On the right side of the figure, in frames (a) to (c), we see the extremely sudden birth of quantum vortices, formed because of a high shear in the flow, that just as rapidly disappear (e), before reforming again in (f).

19 EASTERN VIRGINIA MEDICAL SCHOOL Background Medical training must at some point use live patients to hone the skills of health professionals. At the same time there is an obligation to provide optimal treatment to insure patient safety and well-being The use of simulation wherever feasible conveys a critical educational and ethical message to all: patients are to be protected whenever possible and they are not commodities to be used as a convenience of training. Amatai Ziv The goals of the EVMS Program in Medical Modeling and Simulation are to design and implement a comprehensive program in modeling and simulation that: addresses curricular requirements for learners in the medical and health care professions and for practitioners; to capitalize on regional expertise in modeling and simulation to develop innovative programs and products with health care applications; and, to promote opportunities for strategic institutional and corporate partnerships that advance the stature and academic reputation of EVMS and affiliated institutions, bolstering financial support for the program. In many high-risk occupations (e.g., aviation, military operations, and nuclear power plant operations), simulations have been widely used to educate and assess participants. During the last three decades, computer-based simulators have become a fundamental component of training in these industries. Not only do simulators provide a safe environment for trainees to acquire skills, but they also facilitate understanding of human performance by providing more detailed and useful metrics than are provided by the traditional apprenticeship approach to training. By contrast, simulations in the health industry have only begun to be more widely used during the past fifteen years, and computer-based simulator systems for training healthcare providers have only been generally available for the last ten years. Now, however, the number and variety of medical simulator systems are increasing rapidly. These new simulator-based training systems offer many advantages. They enable trainees to learn fundamental procedures without putting patients at risk. They allow greater opportunities for training to be matched to individual needs. And they can expose trainees to important but rare conditions, which they might not otherwise encounter in the training years. They reduce the need for using cadavers and animals in training. Moreover, evidence is beginning to demonstrate that clinicians who train using simulations are subsequently more skillful when they first perform procedures on living patients. Consequently, a growing number of residency review committees and licensing/certification bodies, such as the American College of Surgeons, are now considering how to use simulation for assessment and certification. The EVMS Program in Medical Modeling and Simulation has three major components: the National Center for Collaboration in Medical Modeling and Simulation (NCCMMS), a joint

20 program with Old Dominion University (ODU) and other academic and industry partners; the EVMS/Sentara Surgical Skills Center, a joint program that focuses on residents and procedural training; and the EVMS Center for Simulation and Immersive Learning, the comprehensive, core program at EVMS for modeling and simulation. Leadership of the overall EVMS Program in Medical Modeling and Simulation and the NCCMMS is vested with C. Donald Combs, Ph.D., the EVMS/Sentara Surgical Skills Center with Rebecca Britt, M.D., and the EVMS Center for Simulation and Immersive Learning with Thomas W. Hubbard, M.D., J.D. Brief narratives describe both the NCCMMS and the EVMS/Sentara Surgical Skills Center to provide context for the EVMS Center for Simulation and Immersive Leaning, which is the centerpiece of EVMS medical simulation activities. The National Center for Collaboration in Medical Modeling and Simulation Recognizing that simulation could help the health care industry respond to substantial training, quality, and patient safety issues, Eastern Virginia Medical School (EVMS) and Old Dominion University (ODU), through its Virginia Modeling, Analysis and Simulation Center (VMASC), established the NCCMMS in 2001. It was recognized as a national center in the 2002 Defense Appropriations Act and has operated with a mix of public and private funding since that time. In nine years of operation, it has conducted research and deployed simulation-based training systems designed to improve practitioner competence and patient safety. The collaboration has brought together academia, industry and the public sector. It is now time to take advantage of NCCMMSs successful research and development efforts and to operate as a national entity. Partnering with industry (both simulation and health care), accreditation and licensing organizations, and other academic partners, our goal is to establish the Center as a national leader in the use and study of simulation in health care delivery and training. The Commonwealth of Virginia has provided seed funding to initiate this effort. The vision is to establish NCCMMS as a national leader in fostering collaboration and using simulation to improve health care. To achieve this vision will require a committed partnership among academic institutions, the health care and simulation industries, and the public sector at all levels. NCCMMSs mission is to: 1. Develop simulation-based technologies for medical and health care training. These training advances will foster greater student throughput, address patient safety issues, and assist in certifying medical and health care professionals in new procedures and recertifying them on a periodic basis. 2. Develop simulation-based technologies to improve patient care. 3. Develop and employ medical modeling and simulation standards to foster cost-effective products and prevent duplication. 4. Collaborate with medical and health care licensing bodies on the proper use of simulation in teaching, training, and certification. 5. Develop a cadre of trained medical and health care simulation specialists.

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Since its inception, the NCCMMS has received financial support from both public and private sources and has conducted research, produced intellectual property, and published over 100 research articles and presentations. EVMS/Sentara Center for Surgical Skills The mission of the EVMS/Sentara Center for Surgical Skills is to teach and assess basic and advanced surgical skills. Under the directorship of Rebecca Britt, M.D., the Center achieved accreditation by the American College of Surgeons Education Institute in 2010. It had its roots in 2003 when the Department of Surgery began acquiring equipment, developing the necessary expertise, and garnering institutional support to establish a formal simulation training laboratory to provide training opportunities for residents, medical students and allied health professionals. Space was provided in 2008 by Sentara Norfolk General Hospital, making it a convenient learning space for residents and students based at that hospital. A variety of task and skills simulators and teleconferencing technology now populate the space. Today, the resources of this multidisciplinary facility are shared among the Departments of Surgery, Obstetrics and Gynecology, and Urology. An education specialist manages the Center with the assistance of an on-site coordinator. The specific goals of the center include: providing a setting for learners of all medical disciplines to practice simulation in a safe, controlled environment; offering experiences with low frequency, high risk clinical scenarios; enhancing the assessment processes of learners while providing objective and timely feedback; promoting the multidisciplinary team approach to health care; and, serving as a regional site for practicing clinicians to refresh skills and/or obtain new skills. Promoting life-long learning is a particular curricular emphasis. The EVMS Center for Simulation and Immersive Learning July 2011 ushered in a new era in simulation-based education at EVMS when the EVMS Center for Simulation and Immersive Learning opened its doors in a new 25,000 sq. ft. facility. This new facility has state-of-the-art educational technology and includes 18 standard-sized examination rooms, six examination rooms that can be flexibly combined into one, two or three simulated emergency rooms, operating rooms, hospital rooms or an open multiple trauma scenario facility, a part-task trainer room, an immersive 3-D learning center with a CAVE, and classroom and conference space. Already known for excellence in teaching, assessment, and research, the addition of innovative, cutting edge programming will give rise to new levels of national recognition. The new location adds additional physical space to expand and improve current programming; the design and outfitting allows new opportunities for both device and hybrid simulation training and for teaching and assessment in virtual reality environments. Expanded and new programming comes at an opportune time. New curricular requirements for competency achievement and larger class sizes require more time and resources; diminished opportunities for learners to become proficient at certain procedural and patient management skills in the traditional apprentice method justify new programming; and, simulation is becoming increasingly important in practitioner certification and maintenance of competence.

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Simulation is not a new concept to EVMS. Under the direction of Gayle Gliva-McConvey and the oversight of Dr. Thomas W. Hubbard, the Professional Skills Teaching and Assessment Center (PSTAC or Center) has been teaching and assessing students in the medicine degree and health professions programs using simulation since the Centers establishment in 1994. The Center uses the well-authenticated methodology for training using Standardized Patients (SPs, see below) to act the roles of patients with diverse menus of injuries and illnesses, allowing learners to perform physical and verbal examinations for teaching and assessment purposes. Learners can achieve an appropriate and acceptable level of competency for a given procedure or task prior to attempting them on actual patients in clinical settings. The environment is focused on the trainee rather than the patient, allowing for controlled, structured, proactive clinical exposures to a wide range of conditions and acuities. Simulation with SPs is ideally suited for reproducible, standardized and objective learning and assessment, where feedback and debriefing are developed as normative and accepted functions. It also affords the learner an opportunity for deliberate and repetitive practice according to individual needs in a safe, controlled, mistake-forgiving environment where they achieve a desired level of competence. This methodology has been perfected at EVMS and the Center has a national reputation for quality and innovation. Even while planning for its move and expansion, the Center continued to experience steady growth in its human simulation functioning in terms of curricular utilization and sharing expertise with other institutions in the region. In addition to conducting EVMS educational programs for medical and health profession students, there are 65 external clients to whom the Center provides some level of service. During the last fiscal year, the Center provided approximately 25,000 hours of teaching and practical testing for EVMS-related activities and 18,000 hours of teaching and assessments for external clientele. The impending move to new space and recent demands of the schools medical and health professions curricula have prompted a significant change in the Centers programming, adding device simulation capabilities. Device simulation encompasses a wide range of methodologies from low-technology task trainers to high-technology manikins and immersive virtual environments. Incorporating a range of simulation devices will transform the Centers capacity and capability to accommodate curricular needs above and beyond its traditional emphasis on SP training. The new menu of patient simulation methodologies will include (but not be limited to) the following: Standardized patients (SPs) are individuals trained to act as real patients in order to simulate a set of symptoms or problems. SPs are considered the state-of-the-art for teaching and assessing information gathering, communication skills, and professionalism. Manikin-based simulators or high-fidelity simulators using sophisticated computer-driven electronic and pneumatic functionalities to produce realistic patients that breathe, respond to a wide range of interventions, talk, and produce vital signs and clinical indicators of status. Partial or complex task trainers are devices used to teach and assess both invasive and noninvasive procedural skills such as peripheral and central line placement, spinal taps, endoscopic procedures, and airway management. Screen-based computer simulators are programs that run on personal computers or through web-based applications that allow learners to employ clinical knowledge and critical decision-making skills. Virtual reality

23 simulators involve the highest technology simulation using an immersive environment created by computer-generated images and interface devices. This method of simulation often involves avatars using artificial intelligence speech recognition technology and can invoke sensory components of sound, motion, and smell. The Center adapts its learner experiences to reflect national trends in training and licensure requirements. The new requirement of a clinical skills examination for medical licensure by the U.S. Medical Licensing Examination validated the importance of simulation in medical education. A decade before this test was required for licensure, we pioneered a similar assessment to insure clinical skill mastery in our graduates. That EVMS was chosen as one of a handful of beta test sites for the national exam speaks to the expertise that we have. New Liaison Committee for Medical Education accreditation requirements dictate that medical education programs insure that their graduates master certain competencies, some of which involve skills best taught and assessed by simulation. We are ready to meet the newest requirement that all students have comparable clinical experiences, placing more responsibility on simulated experiences to even the score, so to speak. So, undergraduate curricular and accreditation needs are additional reasons for a responsive and versatile program in simulation. The Centers importance to graduate medical education programs and the practicing community grows each year. The Accreditation Council on Graduate Medical Education (ACGME) requires all residency training programs to implement, measure, and assess a competency-based core curriculum. Residency programs are now in Phase three of four in implementing these requirements whereby programs must fully integrate competency education and assessment into their training programs. Residencies are charged with employing resident performance data as the basis for promotion and using external measures to ensure that residents are performing at levels consistent with their educational objectives. Simulation is listed as one of the key assessment tools by the ACGME for a number of the core competencies. The methodologies we employ are the most desirable or potentially applicable for measuring 20 of the 25 identified core competencies. Moreover, fewer patient encounters due to new work rule restrictions and legitimate concerns for patient safety and outcomes-based quality justify a robust program in human simulation that can address these issues. In addition to our residency trainees, pilot programs to re-certify practicing physicians are underway in the United States and Canada with the prediction that practicing physicians in a number of specialties will have a clinical skills component to their periodic recertification in that specialty. It is predictable that our client base will continue to expand in the future given the future needs of graduate and practicing physicians. Besides the key role they play in training and assessment of our students and practitioners, Center personnel are recognized for their industry expertise. Center personnel have been tapped to lead national organizations, served as consultants to other simulation programs, and been awarded training and research grants. Ms. Gliva-McConvey, for instance, was a founding member of the academic simulation organization, Association of Standardized Patient Educators, and next year will serve as its President. Dr. Hubbard and his research team at ODU secured a patent and product license for a teaching stethoscope. The recently announced Health Resources and Services Administration (HRSA) grant,

24 Predoctoral Education in Primary Care, will be carried out primarily in the Center. These are examples of research projects and grants funding that have led to national recognition for the Center, for EVMS, and for the collaborative programs of the NCCMMS. For additional information on EVMS programs in medical modeling and simulation, please feel free to check the EVMS website http://evms.edu or contact: C. Donald Combs, Ph.D. 757.446.4090 or combscd@evms.edu. Thomas W. Hubbard, M.D. 757.446.8496 or HubbarTW@evms.edu Gayle Gliva, 757.446.8496 or GlivaGA@evms.edu Geoff Miller, 757.446.5832 or MillerGT@evms.edu

Examples of EVMS Activities in Medical Modeling and Simulation Eastern Virginia Medical Schools Sentara Center for Simulation and Immersive Learning provides teaching and assessment of communication and clinical skills for health care providers. Each program conducted by the Center is interactive, customized and designed to maximize learning and application of skills. Through an experiential curriculum, sessions are aimed at teaching new skills and enhancing existing skills. The focus includes interviewing, communication and patient/customer/client satisfaction while integrating knowledge and cultivating professional attitudes. Sessions conducted by the Center use Standardized Patients (SPs), Physical Examination Teaching Associates (PTAs) and GYN/GU Teaching Associates (GTAs). SPs are pre-trained to present a social and emotional history to duplicate a provider-patient visit, which allows participants to interact as if they were in their own setting. Each case is specifically identified to meet specific educational objectives. In addition, SPs are trained to provide immediate, objective feedback on the content and process of the interaction. The SP/TAs from Eastern Virginia Medical School have instructed health care providers at institutions and colleges across the nation. Unique uses of EVMS SP/TAs include: 1. The American College of Physicians Annual conference: EVMS provides PTA/GTAs to refine Internists skills in workshops such as: The Practical Tools for Geriatric Assessment, Neurology Assessment of the Comatose Patient Dermatology Rounds: Diagnosing Important and Common Lesions and Rashes Using Standardized Patients and Simulated 3-Dimensional Prosthetic Mimics Central Venous Line Placement workshops Clinical Skills Examination refinement for the Male GU/prostate and Female Breast and pelvic examination techniques

25 2. Virginia Commonwealth University Medical College of Virginia School of Medicine NIH research project: Appraisal and Diagnostic Delay in Colon Cancer project using unannounced standardized patients (USPs) to conduct health communication research in clinical settings in Virginia and Ohio. 3. US Navy TeamStepps Training: TeamSTEPPS is a teamwork system designed for health care professionals that refines interactions in improving quality and patient safety, improve communication and teamwork skills among health care professionals. Producing highly effective medical teams that optimize the use of information, people, and resources to achieve the best clinical outcomes for patients, Increasing team awareness and clarifying team roles and responsibilities, Resolving conflicts and improving information sharing, Eliminating barriers to quality and safety. 4. VA Hospital Womens Health trainings: GTAs working with VA Hospital clinics in Virginia, NC and Maryland in refining providers well woman assessments and team training with nurses and nurses aides. 5. LifeNet Health Transplant Services Division and Tissue Services Division: Programs with LifeNet staff and coordinators in developing and refining communication skills when approaching families and next of kin to discuss organ and tissue donation. 6. In addition to these training activities, EVMS faculty regularly present findings from their research studies at both national and international conferences such as those sponsored by the Society for Simulation in Health Care, the Society for Medical Innovation and Technology, Medicine Meets Virtual Reality, MODSIM WORLD, and the Association for Standardized Patient Educators. As examples, Gayle Gliva, who heads EVMS standardized patient program is currently serving as the President of the Association; C. Donald Combs, Ph.D., serves as Founding Co-Director of the National Center for Collaboration in Medical Modeling and Simulation and will deliver the Plenary Address as the Asian Pacific Medical Education Conference in January, 2012; and L.D. Britt, M.D., MPH, who is currently serving as the President of the American College of Surgeons, will deliver a plenary address at MODSIM World 2011.

26 GEORGE MASON UNIVERSITY The joint Krasnow Institute and Computer Science Department advanced modeling and simulation research program at George Mason University has enabled significant new extramural funding and scientific leadership, nationally and internationally. The core research agenda focuses on cutting-edge simulation models for understanding coupled socio-natural-engineered systems. Basic research concerns advancing fundamental understanding of the dynamics in artificial and real world complex adaptive systems. Applied research yields new insights in areas of national and international security, climate change, humanitarian assistance disaster relief, vehicular traffic control, and human diseases. Contacts: Claudio Cioffi-Revilla (ccioffi@gmu.edu), Sean Luke (sluke@gmu.edu), Kenneth De Jong (kdejong@gmu.edu), Jayshree Sarma (jsarma@gmu.edu) Krasnow Institute and College of Science, George Mason University The Center for Regional Analysis (CRA) conducts research on economic and demographic trends in the Washington metropolitan area and the Commonwealth of Virginia. Among the methodologies employed in our research and forecasting activity is econometric modeling and input-output (I/O) analysis. These models and variations on them are used to calculate the economic impacts of public policies and private investments on local and state-level jurisdictions and their populations, workforce, and tax bases. Contact: Steve Fuller (sfuller2@gmu.edu), Director, Center for Regional Analysis, School of Public Policy George Mason University, 703-993-3186 Faculty and students in the Climate Dynamics Ph.D. Program are conducting extensive research on the prediction and predictability of regional and global weather and climate. Mason scientists are world leaders in predictability and prediction research using state-ofthe-art climate models for research and experimental prediction. Mason scientists were the first in the world to conduct modeling and simulation research on seasonal prediction and to demonstrate the existence of climate predictability in the midst of chaos. The results of their research provide the basis for operational seasonal climate forecasting and will establish the framework within which longer-range (up to decadal) forecasts of the climate system can be produced in the future. Mason research will lead to the next generation of climate simulation models of the Earths climate system, including the global atmosphere, world oceans, and land surface, that can be used to evaluate and project climate change. Contact: Jagadish Shukla (jshukla@gmu.edu), Climate Dynamics Program, Department of Atmospheric, Oceanic and Earth Sciences, College of Science, George Mason University The Center for Secure Information Systems does work in topological vulnerability analysis, cyber attack modeling and analysis, intrusion detection data mining, and visualization for information security. Its team of CSIS scientists and engineers have developed breakthrough patented technology for cyber attack modeling, analysis, and visualization. This has culminated in the software product Cauldron, which is being used at several government organizations in funded research projects and has been transitioned to the commercial sector.

27 Contacts: Sushil Jajodia (jajodia@gmu.edu ), Anup Ghosh, Steven Noel, Pramod Kalapa, Yih Huang, Duminda Wijesekera, Hoon Kang, Kun Sun The Computational Fluid Dynamics Center at GMU is heavily involved in all aspects of modeling and simulation. The group is not only active in the development of methods, tools and codes for modeling and simulation in these areas, but also actively contributes to the advancement of knowledge in these fields by using a computational sciences approach. At the same time, the group has focused on four major areas of applications: Blast-structure interaction; Free-surface hydrodynamics; Dispersion in urban environments; and Vascular haemodynamics (bloodflow). Contact: Rainald Lohner (rlohner@gmu.edu), School of Physics, Astronomy and Computational Sciences, College of Science, George Mason University

George Mason University Modeling and Simulation Assets with Contact Information Modeling, Simulation, and Prediction of Weather and Climate Jagadish Shukla (jshukla@gmu.edu), Climate Dynamics Program, Department of Atmospheric, Oceanic and Earth Sciences, College of Science, George Mason University Faculty and students in the Climate Dynamics Ph.D. Program (Atmospheric, Oceanic and Earth Sciences Department, College of Science) are conducting extensive research on the prediction and predictability of regional and global weather and climate. The two areas in which faculty and students are conducting original research are: 1. Climate Prediction and Predictability: This will lead to improved forecasts of floods, droughts, and severe weather statistics at lead times of a few weeks to a few years. Mason scientists are world leaders in predictability and prediction research using state-of-the-art climate models for research and experimental prediction. Mason scientists were the first in the world to conduct modeling and simulation research on seasonal prediction and to demonstrate the existence of climate predictability in the midst of chaos. The results of their research provide the basis for operational seasonal climate forecasting and will establish the framework within which longerrange (up to decadal) forecasts of the climate system can be produced in the future. The Climate Forecast System (CFS; http://cfs.ncep.noaa.gov/), the global climate model used operationally by the U.S. National Weather Service to make daily forecasts, is heavily used as an experimental tool for climate prediction research at Mason. Mason scientists have demonstrated the value of CFS for predicting El Nio, global monsoons, and extremes of the hydrologic cycle. Using the state-of-the-art Community Earth System Model (CESM; http://www.cesm.ucar.edu/), Mason faculty are both issuing real-time seasonal

28 forecasts and determining what aspects of climate system variations can be predicted up to 10 or more years in advance, an essential aspect of adapting to the changing climate. 2. Climate Simulation: Mason research will lead to the next generation of models of the Earths climate system, including the global atmosphere, world oceans, and land surface, that can be used to evaluate and project climate change. Mason scientists are acquiring, analyzing and synthesizing climate model output from models used in the Intergovernmental Panel on Climate Change (IPCC) assessment to evaluate the quality and fidelity of the models and to make the data available in manageable forms.

Modeling and Simulation in the Center of Computational Fluid Dynamic Rainald Lohner (rlohner@gmu.edu), School of Physics, Astronomy and Computational Sciences, College of Science, George Mason University The Computational Fluid Dynamics Center at GMU is heavily involved in all aspects of modeling and simulation. The group develops (and actively publishes) every aspect of the modeling pipeline: - Pre-processing (import of data, reduction of data, geometry correction, water-tight models, large-scale data, medical image analysis), - Grid generation (unstructured grid generation, generation of grids suitable for RANS simulations, parallel grid generation), - Solvers (compressible and incompressible flow, heat conductions, structural mechanics, electromagnetics, acoustics, ...) and - Post-processing (visualization, data reduction, optimization, uncertainty quantification, scoping of parameter spaces, ...). - High Performance Computing (large scale simulations, parallel processing, coding for graphic cards - GPUs, ...) At the same time, the group has focused on four major areas of applications: - Blast-structure interaction; - Free-surface hydrodynamics; - Dispersion in urban environments; - Vascular haemodynamics (bloodflow). The group is not only active in the development of methods, tools and codes for modeling and simulation in these areas, but also actively contributes to the advancement of knowledge in these fields by using a computational sciences approach. This is evidenced by the large number of papers published in a wide range of specialized journals in each area (blast, off-shore structures, medicine, etc.) Cooperation with government agencies and laboratories, industry, hospitals and other universities includes:

29 Government Agencies and Laboratories: Naval Research Laboratory, Naval Surface Warfare Center Carderock Division, Defense Threat Reduction Agency, NASA Langley Research Center, NASA Goddard Space Flight Center, Barcelona Supercomputing Center Industry: SAIC, Newport News Shipbuilding, Toyota R&D, Philips Healthcare, Boston Scientific Hospitals: INOVA Fairfax Hospital, UCLA Medical Center, Clinica ENERI (Buenos Aires, Argentina) Universities: UPC Barcelona, TU Braunschweig, TU Darmstadt, Jiao Tong Univ Shanghai, University of Pittsburgh, UCLA, Brain Research Institute (Melbourne, Australia)

The group authors around 50 publications per year, of which more than a third are in peerreviewed journals, and the remainder include invited chapters in books, plenary invited talks at international conferences and symposia and other conference, symposia and workshop contributions. Geospatial Modeling and Simulation The Center for Geospatial Intelligence (CGEOINT) at George Mason University focuses on research that relates to geospatial and spatiotemporal information extraction, analysis, and visualization. Contacts: Anthony Stefanidis (astefani@gmu.edu ), Arie Croitory (acroitor@gmu.edu) The Center for Earth Observing and Space Research (CEOSR) at George Mason University focuses on research that enhances our understanding of the earth and the space that envelops it. CEOSR scientists perform basic and applied research using satellite platforms and sensors, earth systems, cutting-edge information technologies, and innovative computational algorithms. CEOSR's goal is to continue developing pioneering scientific methodologies to advance science through the creative combination of Earth Observing, Space Research, and Geoinformatics. Contact: Peggy Agouris (pagouris@gmu.edu ) Modeling and Simulation in The MicroBiome Analysis Center Patrick Gillevet (pgilleve@gmu.edu), School of Systems Biology, College of Science, George Mason University The MicroBiome Analysis Center (MBAC) resides within the Department of Environmental Science and Policy at George Mason University and supports collaborative research in the fields of Molecular Ecology, Microbial Ecology, Molecular Evolution, and Genomics. The MBAC will build upon the Molecular Ecology Resource that has existed within the Environmental Science and Policy Department for the past 10 years. The resource has established the technology for characterizing microbial communities and the bioinformatics support for analyzing the large non-parametric data sets. The MBAC

30 supports the research programs of the faculty and students in the Department of Environmental Science and Policy, Department of Computer Science, and the School of Systems Biology. One of the major focuses of the MBAC will be research into dysbiosis of the microbial communities (microbiomes) that resides in the human gut, mouth, urogenital, and respiratory tracts and model the homeostatic interactions between microbiome function and human derived gene expression. We define these functions and interactions as the Metabiome and this represents an example where biological data and computational tools are brought together in the multidisciplinary field called Systems Biology. Ecosystem Modeling and Simulation Changwoo Anh, Department of Environmental Science & Policy, College of Science, George Mason University He completed a project last year for the National Park Service that utilized some land usenutrient loading simulation models on watersheds draining into the Potomac Gorge to explore some management scenarios (R.C. Jones, B. Holstein, A. Hailegiorgis, and D.Parker. 2009. Low-Impact Development Stormwater Best Management Practices for Residential Retrofit: A Literature Review and Scenario Analysis for Potomac Gorge Watersheds.) He also has had several students who have used modeling and simulation. The most recent was Ryan Albert used it extensively in his dissertation. He used hydrologic and nutrient loading models to predict past, present and future (explored several land use scenarios) nitrogen concentrations in Pohick and Accotink Creeks This past year a student (Marta Vastag) collected field data to validate the predictions of this model in Potomac Gorge tributaries. Relevant publications Ahn, C., Moser, K. F., Sparks, R. E., and D. C. White. 2007. Developing a dynamic model to predict the recruitment and early survival of Salix Nigra (Black Willow) in response to flooding. Ecological Modeling 204: 315-325. Ahn, C., R. E. Sparks, and D. C. White. 2004. A dynamic model to predict responses of millets (Echinochloa sp.) to different hydrologic conditions for the Illinois floodplain-river restoration. River Research and Applications 20: 485-498. Ahn, C. and W. J. Mitsch. 2002. Evaluating the use of recycled coal combustion products for constructed wetlands: an ecologic-economic modeling approach. Ecological Modeling 150: 117- 140 Environmental Science and Policy Modeling and Simulation Dann Sklarew (dsklarew@gmu.edu)and R. Christian Jones (rcjones@gmu.edu), Environmental Science and Policy College of Science, George Mason University

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Project: Revealing national policy trade-offs in realizing sustainable development Creating empirical model exploring how nations' pursuit of United Nations Millennium Development Goals since 2000 may involve near term trade-offs within or among these goals (e.g., access to safe drinking water vs. carbon emissions reductions). Project: How do climate variability and nutrient management affect Potomac River water quality? Deriving empirical models and visualization tools to determine how climate variability and concurrent policies and behaviors to control nutrient pollution each impact water quality and algal blooms in the tidal Potomac River; utilizing 25 years of data collected from federal, state and local sources. Project: County-scale energy usage and carbon emissions tracking Creating application to inventory and track community energy usage and associated carbon emissions across residential, commercial, industrial, government and transportation sectors; leveraging federal, Virginia and Metropolitan Washington data and modeling tools to provide annual inventory for interested Commonwealth jurisdictions. Prototype presently is under review by Fairfax County. Project: Assessing stream habitats for brook trout reintroduction and conservation Developing empirically-grounded model to evaluate whether selected stream reaches are suitable, or could be restored to suit, reintroduction and perpetuation of native brook trout in the mid-Atlantic states of Maryland, West Virginia, and the Commonwealth of Virginia. Impacts of urbanization and climate variability are also being considered. Modeling and Simulation Projects in the School of Systems Biology Jason Kinser <jkinser@gmu.edu> Project: A Large Scale Simulation for Forensic Science Education The Tir Ebensea simulation creates a large scale, evolving population as an educational tool. Students receive scenarios and some evidence, and they must then use the simulation to extract more evidence and to complete the analysis necessary to solve the scenario. This simulation is also being converted to a computer-based competition for middle school and high school students. Saleet Jafri <sjafri@gmu.edu> Project: Modeling and simulation of cardiac calcium signaling A mathematical model for cardiac calcium dynamics has been developed. The model produces realistic action potentials and calcium transients. A stochastic model of the cardiac functional unit (basic unit of EC coupling) was also developed based on the previous model. It showed that the stochastic gating of independent functional units were necessary produce graded release. The models of EC coupling during heart failure show that the changes in calcium handling were crucial for the increase action potential duration seen in heart failure. Iosif Vaisman <ivaisman@gmu.edu>

32 Project: Modeling of protein structure-function relationship using computational mutagenesis Proteins exhibit a wide range of functional consequences upon mutation. Accurate predictive models for the impact of single amino acid substitutions on protein stability and activity provide important insights into protein structure, function, and evolution. Such models are also valuable for the design and engineering of new proteins and for the study of drug resistance and susceptibility of bacterial and viral proteins. The models which are being developed predict effect of mutations on any protein property that have been experimentally characterized in the training set, and they are either comparable to, or in many cases significantly outperform, alternative approaches. Dmitri Klimov <dklimov@gmu.edu> Project: Study of Alzheimers disease using molecular computer simulations We investigate Alzheimers disease on a molecular level by using high-end parallel computing. This approach allows us to model the formation of protein aggregates, which trigger the onset of this disease. Our specific goals are to uncover the basic physicochemical principles, which govern the formation of Alzheimers protein aggregates, and to examine the therapeutic potential of non-steroidal anti-inflammatory drugs, such as ibuprofen, in the treatment of Alzheimers disease. Our studies have basic as well as applied science components. In particular, our work on ibuprofen provides new insights from molecular perspective on improving the therapeutic effects of this drug. This research activity was supported by RO1 grant from National Institutes of Health and was published in 14 peer-reviews publications and a book chapter. Ancha Baranova <abaranov@gmu.edu> Project: Modeling of the human malignancy as a sub-attractor state within more general tissue-type attractor. In this project we develop a novel Systems Biology definition for individual human tumors as a location in the multimeric space spanned by large number of experimentally measurable parameters (e.g. expression levels for each of the human transcripts). As number of parameters reaches tens of thousands, for each tumor, we are able to calculate the distance separating this tumor from the center of the multimeric space occupied by normal samples. This type of tumor modeling could be exploited for the development of diagnostics and prognostic tests reflecting overall state of the tumor transcriptome instead of traditionally performed profiling of important, but less reliable diagnostic vantage points represented by oncogene and tumor suppressor genes. Robyn Araujo <raraujo@gmu.edu> Project: Modeling and simulation of cell signaling Determining the mathematical requirements for perfect adaptation of protein signaling networks, in terms of the requisite fundamental network topologies and the kinetic properties of individual reactions. This work is important to the future development of anticancer therapies because signaling networks are highly adaptive to perturbations of their internal signaling nodes. Being able to distinguish adaptive network motifs from responsive network motifs in any particular signaling context will be vital to patient-tailored therapeutic strategies of the future.

33 Development of ordinary differential equation models of general 3-node positive and negative feedback networks in order to identify possible mechanisms of cellular cognition. This will be the first work to our knowledge to elucidate the fundamental mechanisms by which a cell can produce an exquisitely well-controlled response to a stimulus that is not compromised by either the variability in the abundances of signaling components or the intercellular variability in basal signaling activities. Our modeling efforts in this direction will provide guidance for future experimental and clinical research as to the molecular quantities that are most likely monitored by the cells under study in computing their response to a particular stimulus or targeted inhibitor of interest. Development of mathematical models of the canonical Raf-Mek-Erk signaling cassette in PC12 cells in order to elucidate the relationship between feedback loops and intercellular variabilities in protein activities.

Modeling and Simulation in the Computational Materials Science Center (CMaSC) Prof. Estela Blaisten-Barojas (blaisten@gmu.edu) School of Physics, Astronomy and Computational Sciences, College of Science Several supramolecular arrays of bio-inspired materials are of interest because of their unprecedented strength, stronger than Kevlar, which make them very attractive for novel ceramics and functional materials. A project is underway to realistically model and simulate nano-spherical aggregates of natural amino acids displaying both strength and piezoelectrical properties for interest to the aeronautic, energy, textile, and construction industries. Prof. Estela Blaisten-Barojas (blaisten@gmu.edu) School of Physics, Astronomy and Computational Sciences, College of Science Computational chemistry approaches at the quantum mechanical level are pursued on a family of photoluminescent organic molecules. These molecules are used in remote sensing applications to identify hazards (including explosives), triggering events, and to tag specific constituents. These taggant molecules exhibit fluorescence when stimulated by ultraviolet light and can be placed in a variety of environments otherwise difficult to reach. For example, spores of bio-threats are naturally tagged and thus prone to be sensed remotely. These calculations are computationally demanding Prof. Estela Blaisten-Barojas (blaisten@gmu.edu) School of Physics, Astronomy and Computational Sciences, College of Science Atomistic modeling and numerical simulations are undertaken for discovering the thermodynamic, mechanical, and structural characteristics of a variety of materials including polymers, porous materials, macromolecular aggregates and nanosystems. For example, certain polymers are investigated for tailoring their mechanical characteristics to serve as artificial muscles; others may serve for nerve tissue restoration. Prof. Dmitri Klimov (dklimov@gmu.edu)

34 We investigate Alzheimers disease on a molecular level by using high-end parallel computing. This approach allows us to model the formation of protein aggregates, which trigger the onset of this disease. Our specific goals are to uncover the basic physicochemical principles, which govern the formation of Alzheimers protein aggregates, and to examine the therapeutic potential of non-steroidal anti-inflammatory drugs, such as ibuprofen, in the treatment of Alzheimers disease. Our studies have basic as well as applied science components. In particular, our work on ibuprofen provides new insights from molecular perspective on improving the therapeutic effects of this drug. This research activity was supported by RO1 grant from National Institutes of Health and was published in 14 peer-reviews publications and a book chapter. Prof. Howard Sheng (hsheng@gmu.edu) Our modeling activities revolve around revealing the atomic-level structures of materials as well as the relationships between structures and materials properties. In condensed matter physics, structures play a foremost important role in dictating materials properties. In fact, the details of many new materials on the atomic level are very difficult to come by, either because of the complex nature of the materials or because of the inadequacy of modern structural characterization techniques. Equipped with atomistic and first-principles computational methods, our researches aim to shed light on the atomic-level structures of disordered materials (such as liquids and glasses) and nano-structured materials. To this end, we have dedicated much effort to developing a library of virtual materials (specifically, metals and alloys) for high-quality computational modeling. New computational methods have also been sought in our group to unravel the atomic-level structures. Our achievements over the past few years can be reflected from our researches on multicomponent metallic glasses, phase-change materials and structural ordering in metallic liquids. More recently, we contributed to the first discovery of a long-range-order type of metallic glass. Our ultimate goal is to build a virtual materials lab, which enables us to discover new materials by means of atomic and electronic structural engineering and to understand materials physics on various topics of materials research. Prof. Igor Griva (igriva@gmu.edu) Development of new primal-dual algorithms for nonlinear constrained optimization, their mathematical analysis, efficient implementation and application to problems in computational learning, radiation treatment planning, power generation and transmission are underway. This optimization-based computational analysis includes investigation of light enhancement and propagation in nanostructures and estimation of electron transfer rates in proteins and molecular wires. Prof. Erhai Zhao (ezhao2@gmu.edu) Computer simulations of many-body quantum phenomena occurring in hybrid structures of superconductors and topological insulators are currently a focus of our studies. Topological insulators are a new class of materials that show great potential for spintronics and quantum computation. We set up computationally and solve numerically microscopic models to shed light on the scattering, transport, the proximity and Josephson effect in these novel structures.

35 Prof. E. N. Economou (eeconomo@gmu.edu) Metamaterials are composite materials consisting usually of metals and dielectrics and exhibiting important electromagnetic properties not found in the natural materials. Most significant among these properties is their magnetic response at high frequencies all the way to visible. This is achieved through specialized designs exhibiting resonance effects. The ohmic losses in the metallic components are the most serious obstacle in achieving many proposed applications with these novel materials, including making invisible objects. A possible solution to this problem is to employ a bottom-up approach based on properly chosen parts of graphene, and we have invested considerable computational and modeling efforts in this direction. Modeling in the Center for Regional Analysis, School of Public Policy, George Mason University The Center for Regional Analysis (CRA) conducts research on economic and demographic trends in the Washington metropolitan area and the Commonwealth of Virginia. Among the methodologies employed in our research and forecasting activity is econometric modeling and input-output (I/O) analysis. These models and variations on them are used to calculate the economic impacts of public policies and private investments on local and state-level jurisdictions and their populations, workforce, and tax bases. The use of I-O modeling enables the CRA to test alternative (possible future) impacts of specific policies or programs as well as to evaluate the consequences over time of existing investments or programs. An example of the former application is the research report entitled The Impact of Sixteen Proposed PPTA Mega Projects on the Commonwealth of Virginia Economy, prepared for the Secretary of Transportation, Commonwealth of Virginia, February 1, 2011. In this research the modeling permitted the economic impact of proposed projects to be measured. An example of the second application, the evaluation of an existing or past condition is illustrated by the CRA report prepared for the Virginia National Defense Industrial Authority in 2009 entitled, The Economic and Fiscal Impacts of DoD Spending on the Commonwealth of Virginia. The modeling undertaken for the Sixteen Proposed PPTA Mega projects involved calculating the travel time saved as a result of the proposed toll roads compared to the road that would be replaced and converting time savings to labor cost reductions due to tardiness (higher productivity), lower vehicle maintenance and operating costs, and lower prices for goods and services due to transportation cost savings. These cost savings impact every sector of the Commonwealths economy, but some sectors (manufacturing) benefit more than some others (financial services). By being able to calculate the transportation cost sensitivity of each sector and changing the cost of transportation internally within the model, the altered economy can be simulated and the benefits measured in terms of contributions to gross state product, new personal income generated and jobs supported. To assess the economic impact of DoD spending in the Commonwealthmilitary payroll, base operational outlays, military retirement and disability benefits, civilian employees

36 payroll, and private DoD contractor payroll and non-payroll outlaysthe values of each type of DoD spending was determined on an annual basis and isolated within the Commonwealths economy using an I-O model with the resulting jobs, income and total outlay values being calculated. Other modeling that CRA has undertaken at the State level has included evaluating the impacts of higher electrical costs in the statea rate increase by Dominion Power. In this case, the cost of electricity was changed within the transaction matrix of the I-O model and its consequences on the economys sectors was calculated and totaled for the State. Higher electrical costs resulted in reductions in output, lost jobs and personal earnings. CRA employs a variety of models for calculating fiscal impacts of public policies and proposed publicly and privately funded projects, it uses models to measure economic impacts generated by events, new structures, and programs, and it uses models to forecast economic growth, employment and occupational demand, and income trends and housing requirements. In 2009, the Center used an I-O model for the Washington metropolitan area to analyze its income and job growth patterns for the 2010-2030 period. It also identified high value added and high growth sectors in which the Washington metropolitan area had demonstrated a competitive advantage over the national economy and analyzed the impact on the economys growth over the next 20 years if those high performance sectors in the Washington area had an equal level of performance as projected in its five peer metropolitan areas (New York, LA, Chicago, Dallas-FW and Atlanta). Shift-share analysis, location quotients and I-O modeling were used in combination to undertake this research sponsored by the 2030 Group. For more information contact: Steve Fuller (sfuller2@gmu.edu), Director, Center for Regional Analysis, School of Public Policy, George Mason University, 3351 Fairfax Drive, MS3B1, Arlington, VA 22201 703-993-3186 Stochastic Modeling and Simulation in the Health and the Environmental sectors. Professor Koizumi's current main research projects include forecasting of optimal resource allocations for a mental health system and disease spread modeling and simulation using Geographic Information Systems. Most recently she developed a web-based simulation model used for mental health resource allocation in the state of Delaware. Contact: Naoru Koizumi (nkoizumi@gmu.edu) Center for the Study of International Medical Policies and Practices Center for Health Information Technology School of Public Policy Joint Krasnow-Computer Science M&S Activities The general theme of this research is the understanding and harnessing of complex adaptive systems. The approach is to combine agent-based modeling technology with research in artificial intelligence, cognitive science, biology, and computational social science to build models of systems of interacting agents with sufficient fidelity to understand or use, via simulation, the complex nonlinear emergent properties of such

37 systems. To that end, we have built and continue to develop a state-of-the-art, widely used open source multi-agent simulation toolkit called MASON. It has already been used in over fifty publications spanning many significant projects, and continues to be part of new research proposals. A representative list is provided below to show the breadth of important modeling and simulation areas to which MASON has been applied. Luke, Sean, Claudio Cioffi-Revilla, Liviu Panait, and Keith Sullivan. 2005. MASON: A Java Multi-Agent Simulation Environment. Simulation: Transactions of the Society for Modeling and Simulation International 81 (7): 517527. Prior, Stephen, De Jong, Kenneth, and. (2005). Computational modeling and simulating of host-pathogen interactions, U.S. Patent Application 20050055188. Prior, Stephen and De Jong, Kenneth. (2010). Office of Naval Research Contract N00014-10-C-0274. Evolutionary Epidemiology of SOIV H1N1 Influenza: A Novel Modeling & Simulation Approach. Cioffi-Revilla, Claudio, and Mark Rouleau. 2010. MASON RebeLand: An Agent-Based Model of Politics, Environment, and Insurgency. International Studies Review 12 (1): 3146. Hrolenok, Brian, Sean Luke, Keith Sullivan, and Christopher Vo (2010). Collaborative Foraging Using Beacons. In Proceedings of the Ninth International Conference on Autonomous Agents and Multiagent Systems (AAMAS 2010). 1197-1204. Luke, Sean and Vittoiro Ziparo (2010). Learn to Behave! Rapid Training of Behavior Automata. In Proceedings of the Adaptive and Learning Agents Workshop at AAMAS 2010. 61-68. Balan, Gabriel and Sean Luke (2006). History-based Traffic Control. In Proceedings of the Ninth International Conference on Autonomous Agents and Multiagent Systems (AAMAS 2006). Contacts: Claudio Cioffi-Revilla (ccioffi@gmu.edu), Sean Luke (sluke@gmu.edu), Kenneth De Jong (kdejong@gmu.edu), Jayshree Sarma (jsarma@gmu.edu) Avrama Blackwell (kblackw1@gmu.edu) uses interdisciplinary experimental and modeling studies to examine the spatial and temporal control of cAMP/PKA signaling in the hippocampus. Modeling in the School of Management at George Mason University Amitava Dutta (adutta@gmu.edu) (703) 993-1779, School of Management Institutions continue to make massive investments in information technology (IT). However, investment in IT does not, by itself, inevitably result in business value. Value is derived only through the interaction among IT, business processes and organizational characteristics. Dutta uses the system dynamics methodology to model and simulate the impacts of IT investment in a variety of organizational settings, with the aim of relating IT investments to business value. His system dynamics research has appeared in several prestigious journals and he has also developed and taught an Executive MBA course on the same methodology. This course seeks to arm senior executives with conceptual tools to

38 think holistically about the impact of IT in organizations. Given how IT is ubiquitous, every senior manager, particularly in a non-IT function, has a role to play in extracting value from costly IT investments. Cyber Security Modeling The Center for Secure Information Systems does work in topological vulnerability analysis, cyber attack modeling and analysis, intrusion detection data mining, and visualization for information security. Its team of CSIS scientists and engineers have developed breakthrough patented technology for cyber attack modeling, analysis, and visualization. This has culminated in the software product Cauldron, which is being used at several government organizations in funded research projects and has been transitioned to the commercial sector. Contacts: Sushil Jajodia, Anup Ghosh, Steven Noel, Pramod Kalapa, Yih Huang, Duminda Wijesekera, Hoon Kang, Kun Sun Modeling and Simulation Activities at ICES Researchers at the Interdisciplinary Center for Economic Science use laboratory experiments to wind tunnel test new economic incentives and proposals for government agencies trade associations and for academic research. Experimental economics provides tools for policy-makers for testing, comparing, and redesigning new economic systems. We do this by creating a scaled down experimental market that can operate in a controlled laboratory setting using human subjects similar to the way it functions in real life. In March 2009, Carl Johnston and Stephen Rassentis paper that used experiments to test nine different policies for reforming the healthcare system was presented at a White House Summit on healthcare reform. This was months before Congress announced its own plan that became the healthcare reform of 2010. Contacts: Stephen Rassenti (srassent@gmu.edu ), Carl Johnston (cjohnst1@gmu.edu Interdisciplinary Center for Economic Science, George Mason University, 703-993-4853

39 JAMES MADISON UNIVERSITY Project Title: Network Modeling Group Project Leads: Dr. Mohamed Aboutabl, Dr. David Bernstein, Dr. Hossain Heydari, and Dr. Sharon Simmons. Project Summary: The Network Modeling Group conducts research into the theory and application of network models. This includes optimization models (e.g., optimal routing), equilibrium models (e.g., network pricing), dynamic models (e.g., traffic forecasting), and evolutionary models (e.g., network growth models). The majority of this applied work has involved telecommunications networks and transportation networks. However, the models and techniques that have developed can also be applied to water resource networks, economic networks, and electrical networks. Project Title: Advanced Thermal-Fluids Laboratory Project Leads: Dr. Olga Pierrakos, Dr. Karim Altaii, and Dr. Heather Watson Project Summary: Advanced Thermal-Fluids Laboratory With support from the National Science Foundation in the form of $500,000, a state-of-the-art Advanced Thermal-Fluids Laboratory has been established to study a broad range of thermal-fluid applications varying from biomedical to mechanical to biological to energy to aerodynamic projects for research and education purposes. Project Title: A Simulation Model for Triclosan Concentratoins in the North and Middle Rivers, Virginia Project Leads: Dr. Tom Benzing and Dr. Mike Deaton Project Summary: This project modeled the dynamics of pollutant dispersion (tricolsan) in a section of the North and Middle rivers and can be adapted to explore changes in waste treatment technology and/or population growth on pollutant concentrations; motivated as part of the fish kill investigation. Project Title: Chaotic Sandwheel Project Leads: Dr. Anthony Tongen and Dr. Roger Thelwell Project Summary: Supported through the National Science Foundation and National Security Agencys National Research Experience for Undergraduates Program (NREUP) (participants at JMU analyzed differences between a chaotic waterwheel and sandwheel. Experiments considered the differences between the rate of granular material and liquids. Linear stability theory was used to explore stability and numerical experiments indicated that the center of mass could be used to classify the system's behavior, including constant, rolling, periodic or chaotic states.

40 LONGWOOD UNIVERSITY Teaching through Technology & Innovative Practices Integration of Modeling and Simulation in K-12 Content Instruction Longwoods College of Education and Human Services equips K-12 teachers with 21st century skills to enable them to prepare a globally competent workforce of the future. Longwood Universitys outreach to K-12 is provided by the Teaching Through Technology and Innovative Practices (ITTIP) office, which provides teacher professional development workshops for in-service teachers to integrate and infuse models and simulations in teaching content in three ways: A. Learning how to create simulations: a) Through the National Science Foundation funded Digispired project, teachers are trained to use open source applications, Scratch and Alice, to create simulations or models. ITTIP has trained 26 teachers in 2010 and will train an additional 20 teachers in summer 2011. b) Through a HP Catalyst Grant ITTIP is focusing on the same effort with a group of ten teachers to integrate Scratch, Alice, and Kodu in their classrooms so that students in middle and high schools understand and create simulations. B. Creating digital learning environment: Teachers are encouraged to create lesson plans with the integration of Alice, Scratch or Kodu, implement the lessons in classrooms, and present a portfolio with lesson plan, reflection, and student artifacts. Teachers are able to differentiate instruction to meet the needs of the students. While some students create science simulations, other students use the tools for digital story telling with simple animations. C. Integrating models and simulations: In collaboration with national organizations such as Concord Consortium, Pittsburgh Supercomputing Center, and Shodor Foundation, ITTIP is training math, science and career and technical education teachers to integrate modeling and simulation in the Math and Science partnership grant projects. Pittsburgh Supercomputing Center (PSC): The staff from the outreach center of the PSC trained teachers in Longwoods annual STEM summit use Computational Modules in Science Teaching (CMIST) to explore modeling and simulation in secondary school classrooms. Program content focuses on integrating computational biology, physiology, mathematics, and biophysics. Shodor Foundation: Shodor has created interactive tools and simulation environments that encourage exploration and discovery through observation, conjecture, and modeling activities for K-12 math and science classrooms. ITTIP provides professional development on using these tools.

41 Concord Consortium: By assisting Concord Consortium in implementing the national project, Innovative Technologies for Science Inquiry Scale Up projects, K-12 science teachers in Virginia are receiving training in using the models created with Molecular Workbench or NetLogo. In addition, teachers learn to Integrate PhET Interactive Simulations created by Colorado University.

COLLEGE OF BUSINESS AND ECONOMICS Modeling & Simulation Projects Longwood University is a founding core team member of the Virginia Logistics Research Center (VLRC), which will use Modeling & Simulation (M&S) technology as one of its primary tools to enhance sustainment and solve problems that keep supply chain managers up at night. Initially sponsored by the Crater Planning District Commission in Petersburg, VLRC will be collaboratively sponsored with two other state academic partners, the University of Virginia and Virginia State University, as well as several industrial stakeholders, to be named. With an eventual site within Fort Lee, VLRC is planning to serve many types of clients, including the federal sector and defense-related agencies and firms. Following the completion of a draft business plan in summer 2011, VLRC will be formed and chartered within the Commonwealth, and provide research opportunities for faculty, graduate assistants, and internship candidates. Royalties flowing from deployment of intellectual property will provide a future revenue source. Areas of research incident to Longwood include simulation of nursing applications related to patient treatment, global supply chain management issues and cost reduction techniques, risk analysis and avoidance related to cyber security, homeland defense initiatives, and optimal inventory management within the retail and warehousing sectors. Longwoods involvement will include enhancement of STEM-related curriculum, as well as seeking partnerships with community colleges throughout the Commonwealth to help stimulate workforce development and creation of M&S-related jobs. In the GLO-BUS Project, teams of 4-5 business student class members are assigned to run a digital camera company that produces and markets entry-level and upscale, multifeatured cameras in head-to-head competition against camera companies run by other members of the class. The companies compete in a global market arena, selling to camera retailers in four geographic regionsEurope-Africa, North America, Asia-Pacific, and Latin America. The co-managers of each company are responsible for assessing market conditions, determining how to respond to the actions of competitors, forging a long-term direction and strategy for their company, and making decisions relating to: Research & Development , camera components, and camera performance (up to 10 decisions) Assembly operations and worker compensation (up to 15 decisions for a single assembly plant) Pricing and marketing (up to 15 decisions in each geographic region) Corporate social responsibility and citizenship (as many as 6 decisions) Financing of company operations (as many as 4 decisions).

42 Each time co-managers make a decision entry, an assortment of on-screen calculations instantly shows the projected effects on unit sales, revenues, market shares, total profit, earnings per share, ROE, unit camera costs, and other pertinent operating outcomes, enabling co-managers to evaluate the relative merits of one decision entry versus another. At the end of each decision round (equivalent to one business year), each company's performance is calculated based on a balanced scorecard approach that includes brand image, earnings per share, return on equity investment, stock price appreciation, and credit rating. The sample simulation system can be found at: http://www.globus.com/tour/Instructors.html#!/WhatIsBSG COLLEGE OF ARTS AND SCIENCES Department of Nursing, Clinical Simulation Learning Center The Edward I. Gordon, M.D., Clinical Simulation Learning Center (CSLC) is one of the newest simulation learning centers in Virginia, opening and dedicated on February 1, 2011. The CSLC is integral to the Bachelor of Science in Nursing program and the acquisition of critical thinking and clinical patient care. Simulated patient experiences will be integrated throughout the nursing curriculum beginning at the sophomore level and increasing in complexity as the students progress to senior level clinical experiences. The CSLC (Phase I completed Fall 2010) is approximately 7,000 sq ft. Phase I of the CSLC consists of two fundamental skills labs (5 beds each); a health assessment lab with 5 exam stations; two patient simulation labs; storage/prep room; control room; and conference/debriefing room. The CSLC is equipped with various low to mid-fidelity manikins, hospital and clinical equipment/furnishings, and specialized audio-video recording equipment to provide an optimal realistic clinical learning environment.

43 NORFOLK STATE UNIVERSITY

The Marie V. McDemmond Center for Applied Research (MVMCAR) at Norfolk State University is a six-story, 128,000 square-foot, applied research facility that houses state-ofthe-art laboratories performing research in the areas of Gaming and Simulation, Virtual Reality, and Mathematical, Computer Network, and Wireless Network Modeling and Simulation. Creative Gaming and Simulation (CGS) Lab CGS, a 3700 sq. ft. facility housed in MVMCAR, is equipped with multi-core processor, high performance gaming development PCs supported by advanced 3D graphic rendering chipsets and large capacity storage and memory. CGS development machines are equipped with gaming industry standard modeling, simulation, and professional software development tools. CGS facilities include: Gaming and Simulation Lab Systems, Visualization, and Interactive Technologies Lab CGS MoCap Lab Modeling, Simulation, Visualization, and Training Technologies (MSV&TT) research and development at Norfolk State University (NSU) is primarily performed at the Creative Gaming and Simulation (CGS) Lab directed by Dr. Rasha Morsi. Dr. Morsi is an Associate Professor of Engineering in the College of Science, Engineering, and Technology. The MSV&TT work at CGS is centered around the research and development in areas that include game-based and interactive web-based applications as well as interactive training solutions for education, industry, and government. CGS develops interactive simulation and game-based applications for the PC, mobile devices, and off-the-shelf game consoles that are a niche over others working in interactive simulation and game design and development. The Labs research focus is on the design of innovative solutions that incorporate embedded assessment in the implementation of these educational and training tools. CGS is currently involved in several projects aimed at enhancing K-16 Science, Technology, Engineering and Mathematics (STEM) education. Since 2003, CGS director, Dr. Morsi, has secured over $5 million in funding from the National Science Foundation and the Department of Defense, among other public and private funding agencies. CGS Motion Capture Capability CGS Lab has recently established a state-of-the-art motion capture (MoCap) lab. CGS MoCap is equipped with Vicons cutting-edge motion capture hardware and software. Vicon is a leader in motion capture systems in the movie animation industry. Vicon systems have most recently been used in the making of Disneys Mars Needs Moms movie. This new motion capture capability available at NSU allows the development of realistic animations (both full-body motion and facial) that can be used in technical, medical, and military training simulations/solutions. With this MoCap asset, NSU is now the only public

44 HBCU with this high caliber motion capture system for animation/simulation capability and use. CGS Simulation and Training Research CGS was recently awarded a $4.2 M grant from the US Army Medical Research and Materiel Commands Telemedicine & Advanced Technology Research Center (TATRC) (Award Numbers: W81XWH-09-1-0541 and W81XWH-10-1-0378 ) to develop VNurse: a modular dynamic simulation framework for nurse training in a semi virtual environment. VNurse is a 3D training simulation that provides the unique opportunity for medical organizations to increase the training and efficiency of nursing professionals. The project is designed to evaluate the learning of clinical content and how this translates into the performance of clinical tasks. This is the first major project aimed at developing 3D training simulations solely for nurse education and training. CGS Gaming and Simulation Research CGS has recently received funding from WHROs Hampton Roads Educational Telecommunications Association, Inc. (HRETA) to develop iPad Apps for a virtual high school curriculum to be offered by HRETA. The iPad educational simulation and gamebased applications address difficult learning content in the subjects of Chemistry, Oceanography, and Astronomy and are designed to make this material simpler for the student to understand using innovative 3D visual effects and activities. The iPad Apps are currently undergoing testing with an expected formal evaluation at local high schools in 2011. In 2009, CGS partnered with the Chesapeake Public Library (CPL) and received funding from the FINRA Foundation and the American Library Association to develop $ave $teve, an online collection of games for all age groups in which the player can rescue $teve from financial ruin. $ave $teve is considered a vehicle for communicating a wide range of information covering topics such as basic financial definitions to complex investment principles. The $ave $teve games are intended to be a fun way to inherently learn basic saving and investing vocabulary and concepts. $ave $teve is a product of a true collaboration where CPL desgined the original $ave $teve game idea, CGS designed and developed the gameplay and activities, and Bridgeforth Artists designed and created all the game illustrations and screens. $ave $teve was released to the public in July 2011 and has receievd outstanding reviews from the community. Other CGS M&S Research Other CGS capabilities include the collection and analysis of simulation data. Extracting knowledge or useful information concealed in (large scale) distributed data repositories is a fundamental need for any application including Intelligence and Homeland Security. Using Object Oriented Modeling techniques, efficient, fast and validated models and simulations can be developed to provide vital information on prediction of traffic patterns in a national disaster evacuation event. Similar techniques can be applied to effectively predict chemical and electronic terrorism. Another aspect of modeling and simulation involves Graphical User Interface (GUI) design that allows for the graphical representation of simulation results. Research at Norfolk State Universitys CGS Lab also includes the

45 development of innovative GUIs to enable effective use of tools created and access to the critical simulation results by non-technical personnel.

46 OLD DOMINION UNIVERSITY Modeling, Simulation, and Visualization (MS&V) Research Initiative Report 2009-2010 Federal and Private Funds Leveraged In FY 2010, The Virginia Modeling, Analysis and Simulation Center (VMASC) continued to grow and expand its outreach while continuing to provide its existing stakeholders with exceptional service and support. VMASC, led by its Executive Director John Sokolowski, focuses on seven core MS&V areas transportation, homeland security and military defense, virtual environments, social sciences, medicine and health care, game-based learning, and supply chain modeling. In the midst of a tenuous economy and high unemployment rates inside and outside the Hampton Road area, VMASC was able to grow its workforce and increase sponsored research activities. In FY 2010, VMASC generated 44 research proposals worth $13.1M which were submitted to various industries, academic, local, state and federal agencies. Of those 44 submissions, 69% were accepted for award, with total expenditure exceeding $8.1M. Those MS&V faculty members housed outside of VMASC in the Colleges as well as in the newly formed MS&V Engineering Department generated proposals worth $15.2M which yielded an additional research expenditure of $1.7M the total for FY 2010 reached $9.8M. In addition, $524,469 was generated in purchase release time which was used to leverage additional personnel, equipment, and student support. Efforts in Support of Industry and Government The list of VMASC affiliates includes 30 companies, 17 universities (4 are from outside of Virginia), 17 government agencies, and 7 regional/state partnerships. VMASC continues to partner with both private sector and government entities under a variety of different arrangements including: (a) Cooperative Research & Development Agreement - CRADAs; (b) Memorandum of agreement - MOAs; (c) Memorandum of Understanding - MOUs; (d) Non-disclosure agreements - NDAs; and (e) Teaming Agreements TAs. The following Table lists these entities and their respective partnership arrangements. CRADA USJFCOM Naval Medical Center Naval Postgrad. School MOA Naval Medical Center MOU EVMS DIPTERM KIDA NDA Alion American Systems Corp. Edutainiacs General Dynamics Lockheed Martin MAK Technologies TA American Systems Corp Booze Allen Hamilton General Dynamics Northrop Grumman SAIC

47 The VMASC Technology and Business Accelerator (VTBA) currently host seven companies progressing towards long term self-sustainability in the Hampton Roads community. VMASC supports economic and workforce development through new research and technology development, classroom instruction and small business incubation. The ultimate goal of VTBA is to stimulate the local economy through new job creation, higher wages, intellectual property transfer, and new investment and tax revenue. VMASC provides support to USJFCOM, Office of Secretary of Defense (OSD), US Army Research Laboratory, and Naval Surface Warfare Center with 12 technical and engineering experts employed through the Intergovernmental Personal Act (IPA). For USJFCOM, additionally, it provides a non-partisan engineering service through Engineering/Technical Services, Student/Faculty Support (ETSSFS) contract. Currently, there are team members many of who are retired senior officers and enlisted members from the US Marine Corps, US Navy, US Air Force and the Air National Guard. For the third year in a row, VMASC took the lead in hosting the 2009 MODSIM World Conference & Expo, on October 13, 2009. This Summit that opened to over 1000 participants gave attendees informative and important perspectives on the impact that the M&S industry has locally, regionally, and nationally, focusing on Hampton Roads growing role in the field. Distinguished speakers included Senator Mark Warner, U.S. Chief Technology Officer and former Virginia Secretary of Technology Aneesh Chopra, and Commander of U.S. Joint Forces Command General James Mattis. The Summit included three panels on Defense & Homeland Security, Education & Training, and Health & Medicine. The panelists included Under Secretary for the National Protection and Programs Directorate (NPPD) Rand Beers and Commanding General of the U.S. Army Training and Doctrine Command General Martin Dempsey, NASA Administrator Charles Bolden, Office of the Secretary of Defenses Readiness and Training Policy and Programs Director Dan Gardner, EVMSs Vice Provost for Planning and Health Professions C. Don Combs, Boston Mass. General/Harvard Medical Simulation lead Steve Dawson, President of the Society for Simulation in Healthcare Mike DeVita, and Virginia Commonwealth Universitys Medical Director of the Center for Human Simulation Ellen L. Brock. MODSIM World 2009 track sessions focused on the main topics of Health & Medicine, Transportation & Logistics, Engineering & Technology, Education & Training, Defense & Homeland Security, as well as a cross-cutting track, Serious Games. Bob McDonnell, then Virginias Governor-elect, joined Congressman Randy Forbes in Hampton Roads on September 28 for a roundtable discussion about MS&V initiatives at the VMASC. Speaking about the exciting possibilities of M&S expansion and the economic impact of the industry, Bob McDonnell remarked, As Governor, I will ensure that we put Virginia in the vanguard of this technology. We need more cooperation among colleges and universities that already have modeling and simulation programs in place and support further research, development and market applications. These programs can be used in a variety of policy areas outside of government and defense work level in the United States for M&S. We need to think outside the box and use the

48 innovative program at ODU/VMASC as a model for what can be accomplished throughout the Commonwealth. In support of MS&V related technology incubator companies, VMASC offered a series of business education courses sponsored by Opportunity Inc. for their SEVA-PORT Program in October 2009. In late November, VMASC, in collaboration with USJFCOM, showcased their MS&V tools and technologies in Transportation, Medical & Health Care, Social Science, and Homeland Security & Military Defense at the I/ITSEC Conference hosted at the Orange County Convention Center in Orlando, Florida. Opportunity Inc. and VMASC teamed to connect interns with industry, provide technology workshops and recruit new startups to the VMASC Technology and Business Accelerator (VTBA). In addition, during the twelve month period, two new companies (Alelo and Command Post Technologies) opened their doors for business in the VTBA. Technology workshops included Technology Transition Planning: Why SBIR Phase I and II is only the Beginning! (May 28, 2010), Technology Forecasting for Strategic Planning and Product Development (June 4, 2010, Business Plan /Entity Structure and How to Start an M&S Company (June 10, 2010) and Strategic Planning for Early-Stage Companies: Why planning is even more important for you than for the Big Guys (June 25, 2010). Each workshop attracted participants from industry, academia, and government. A 3-day Standards of Modeling & Simulation workshop, held at VMASC at the end of March 2010, addressed future standards of modeling and simulation and attracted over 60 participants from academia, industry and government. The presentations covered a variety of topics from the theoretical foundations of M&S to NASAs recent application of M&S Standards. A theme from both the presentations and the working groups was that M&S and M&S standards face a variety of challenges over the next 10 years. VMASC and the Hampton Roads Partnership joined forces to develop a strategic plan to see that the MS&V industry reaches its full potential in Hampton Roads with the inaugural Modeling and Simulation Strategy 2020 Meeting held December 16, 2009. ODU and VMASC researchers presented an Internet based and interactive application of serious gaming, called VisPort (Visualization of Port Logistics), which they created at the Capitol Hill Modeling and Simulation Exhibition on June 30. The overall objective of the application seeks to advertise and describe careers in cargo ports through simulation, video interviews, and port information. Sponsored by the National Training and Simulation Association, with the support of Virginia Rep. Randy Forbes and the Modeling and Simulation Caucus, the Capitol Hill Modeling and Simulation Exhibition seeks out modeling and simulation demonstrations that support non-military and military functions, such as homeland security, emergency planning, medical simulation, sports and exercise, educational gaming and transportation.

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MS&V Faculty and their Fields Name Dr. Mecit Cetin Dr. GianLuca DeLeo Dr. Tal Ezer Dr. Holly Gaff Dr. Jiang Li Dr. Zhili Hao Dr. Patrick Hester Dr. Rani Kady Dr. Jiang Li Dr. Poornima Madhavan Dr. Rick McKenzie Dr. Roland Mielke Dr. Ahmed Noor Dr. Ziaur Rahman Dr. Mark Scerbo Dr. Yuzong Shen Dr. Andreas Tolk Dr. Ginger Watson Dr. Guoqing Zhou Department/School Civil Engineering Health Sciences Oceanography Biological Sciences Electrical & Computer Engr Mechanical & Aerospace Engr. EMS&E EM&SE Electrical & Computer Engr. Psychology MS&VE MS&VE MS&VE Electrical & Computer Engr. Psychology MS&VE EM&SE STEM & Professional Studies MS&VE Specialization Transportation MS&V Bioinformatics Weather & Climate MS&V Epidemiology MS&V Visualization MEMS MS&V Operation Research MS&V Operation Research MS&V Visualization Human factors MS&V Medical MS&V MS&V Visualization Remote Sensing MS&V Medical MS&V Visualization Interoperability MS&V Serious Gaming MS&V Serious Gaming MS&V

MS&V Instructional Programs ODU recognizes that there are at least two groups of students interested in academic programs in modeling and simulation. One group, referred to here as the user group, consists of students who are interested in using modeling and simulation as a tool to study some other discipline. Modeling and simulation is a means to an end; they need to know enough about modeling and simulation to use it wisely and appropriately. A second group, referred to here as the developer group, consists of students who are interested in studying modeling and simulation as a discipline. They are interested not only in applying modeling and simulation in various problem domains, but also in developing new modeling and simulation tools and methodologies. Old Dominion University has organized its academic programs in modeling and simulation to address the needs of both the user student population and the developer student population. This organization is shown pictorially in Figure 1 and explained briefly in the following.

50

Figure 1. Organization of M&S Programs at Old Dominion University. The user group of students is supported by graduate certificate programs that now have been developed in each of the six academic colleges. Graduate certificate programs in modeling and simulation require the completion of four three-credit graduate-level courses. The M&S cluster program must include courses that address the fundamentals of modeling and simulation, taught by the College of Engineering, and courses that address the use of modeling and simulation in the disciplines of the offering college. Students normally earn the graduate certificate on their way to completion of a masters degree or doctoral degree in their major discipline area. During 2009-2010, approximately 24 students were enrolled in M&S graduate certificate programs. The developer group of students is supported by degree programs offered by the newly established Department of Modeling, Simulation and Visualization Engineering (MSVE) located in the Batten College of Engineering and Technology. The MSVE Department, chaired by Roland Mielke, offers the Bachelor of Science in Modeling and Simulation, the Master of Science (thesis option) and Master of Engineering (non-thesis option) in Modeling and Simulation, the Doctor of Engineering (professional degree) in Modeling and Simulation, and the Doctor of Philosophy (research degree) in Modeling and Simulation. MSVE also offers the fundamental modeling and simulation courses that support the M&S graduate certificate programs described above. The undergraduate program in Modeling and Simulation Engineering is a new program that is being developed one program year at a time. The program will be the first of its kind in the country, according to the university. It received approval from the State Council of Higher Education for Virginia to begin offering classes in January 2010.The program started in 2009-2010 with the freshman year; during 2010-2011 the sophomore year of the program is being initiated. The sophomore class consists of 10 students. The first graduating class will occur in spring 2013. By 2014-2015, the M&SE program is expected to enroll over 100 students (sophomores through seniors) and will graduate approximately 25-30 students annually.

51 The impact of this new program should help make Hampton Roads the premier area for modeling and simulation for businesses and high-caliber students who want to study the subject. The bachelors program will allow students to have minors in fields such as marketing and health science. Modeling and simulation graduates with a masters degree earn an average of $83,000 a year locally, with salaries for bachelors degree graduates to be in the $50,000 to $60,000 range. The graduate programs in modeling and simulation enrolls approximately 123 students, 57 at the masters level and 66 at the doctoral level, during fall 2010.The majority of graduate students are part-time students who are employed regionally in the modeling and simulation industry. Graduate programs are available regionally at the universitys higher education centers via televised (two way audio and video) instruction. The program also is available to limited numbers of students via the internet using a hybrid format consisting of both synchronous and asynchronous components. A completely online, asynchronous delivery capability for the Master of Engineering program is under development and should be available by fall 2011. This will facilitate the delivery of the Master of Engineering program nationally and internationally. It is essential that the M&S academic programs coordinate closely with VMASC to make sure that the academic programs support research needs and research programs support the thesis and dissertation activities of M&S students and faculty. It should be noted that ODU has demonstrated significant leadership nationally in modeling and simulation education. Its firsts include: PhD program in 2000; PhD graduate in 2003; M&SE undergraduate program in 2009; and the MSVE Department in 2010. ODU also was a front-runner in offering masters and doctorate programs in modeling and simulation, beginning its modeling and simulation program in the 1990s when it partnered with the military and later created VMASC to offer professional training and research. Impact on Undergraduate Instruction The development of an undergraduate program in Modeling and Simulation Engineering (M&SE) will have a significant impact on modeling and simulation, not only at Old Dominion University, but throughout the region and state. The M&SE program is designed to be a true engineering program; accreditation from ABET under the general engineering criteria will be sought. Program graduates will be prepared to design and build models and simulations, and to apply modeling and simulation tools and methodologies in a variety of application domains. The development of an undergraduate program in Modeling and Simulation Engineering (M&SE) will have a significant impact on modeling and simulation, not only at ODU, but throughout the region and state. The M&SE program is designed to be a true engineering program; accreditation from ABET under the general engineering criteria will be sought. Program graduates will be prepared to design and build models

52 and simulations, and to apply modeling and simulation tools and methodologies in a variety of application domains. The likely impacts of this new program include: The MSVE Department was established to administer the full spectrum of M&S academic programs. The establishment of an MSVE academic department is a clear statement that ODU views M&S as an academic discipline. This is an extremely important milestone for a new and developing discipline. Regionally, M&S academic course offerings were available at the high school and community college level, and at the graduate level. The development of the bachelors degree program completes the education pathway for students interested in M&S as a career. The M&S program is of great interest to students who like computers, computer games, computer graphics and animation, and innovation and entrepreneurship. The existence of the M&S program should enhance our ability to attract students to the STEM areas. The M&S program will prepare students to enter the workforce as M&S engineers and scientists. The M&S industry previously did not have a good source for entrance-level workers. They were forced to hire graduates from other engineering and science areas and then retrain them. The M&S program will produce graduates who are prepared to fill high demand job opportunities in the M&S industry. The availability of an undergraduate program in modeling and simulation will provide a feedstock of students interested in enhanced graduate education in modeling and simulation. This slowly will facilitate expansion of our graduate programs, recruitment of more full-time students interested in M&S research, and be the catalyst for expanding and enhancing the level of graduate course content. Supported Graduate Students In FY 2010, 26 Ph.D. and 2 MS students were provided with fellowship support. These students were enrolled in either M&S degree or one of 9 M&S certificate programs. In addition VMASC sponsored two academic fellowships, which supported two full time graduate students dedicated to research activities. Directed Research In November 2008 VMASC completed an analysis of Hampton Roads transportation improvement alternatives for the Hampton Roads Caucus of the Virginia General Assembly. As a result of this work the Caucus requested VMASC to perform a follow on study of these alternatives to include investigation of several variables to characterize

53 congestion and the alternatives to minimize these measures of congestion. This work began December 2009 and is scheduled to be completed November 2010. This research builds on the initial research completed in 2008 with the addition of an updated road network, impact of accidents and incidents, and the specific analysis of peak traffic periods characteristic of Hampton Roads. Multidisciplinary Research Cultivation The MS&V effort at ODU have significantly impacted the universitys multidisciplinary research thrust, MS&V education, research policies, and corporate relations. This institutional impact is evidenced already by ODU having succeeded in galvanizing its faculty to cultivate newer multidisciplinary application areas. In 2009-2010, a total of 56 ODU faculty members and six non-ODU collaborators were on the applicant teams. The five winning teams (four of which has participation by MS&V faculty researchers) include 16 ODU researchers and three collaborators from the Virginia Institute of Marine Science (VIMS). These were selected to collect enough seed data using which these team of faculty researchers are expected next to go out and seek external federal or other state, or foundation sponsorship to conduct follow-on studies. The five 20092010 multidisciplinary teams are: Hongwei Zhu, Information Systems and Technology; Yuzhong Shen, Electrical and Computer Engineering; Amy Adcock, STEM Education and Professional Studies, "Multiplayer Online Games for Information Quality Management." David Gauthier, Biological Sciences; Holly Gaff, Community and Environmental Health; R Latour, Virginia Institute of Marine Science, William & Mary; K Reece, Virginia Institute of Marine Science, William & Mary; W Vogelbein, Virginia Institute of Marine Science, William & Mary, "Modeling Eco-Epidemiology of Chronic Disease in Wild Finfish." Gon Namkoong, Electrical and Computer Engineering; Keejoo Lee, Aerospace Engineering; Helmut Baumgart, Electrical and Computer Engineering; Hani Elasyed-Ali, Electrical and Computer Engineering, "Ultrahigh-Efficiency Hybrid Organic-Inorganic Solar Cells Using Nanorod-in-Nanotube Techniques." Michael McShane, Finance; Rani A. Kady, Engineering Management and Systems Engineering; Gnana K. Bharathy, Engineering Management and Systems Engineering, "Multidisciplinary Investigation of Emerging and Complex Risks: Developing Integrated Risk Management Expertise." Yan Peng, Mathematics and Statistics; Li-Shi Luo, Mathematics and Statistics; Shizhi Qian, Aerospace Engineering; Wei Liao, Mathematics and Statistics, "Numerical and Experimental Study of Complex Bio-Fluids in Microfluidic Lab-on-a-Chip for Bio-Medical Applications." Recommendations for Future MS&V Investments

54 The Commonwealth of Virginia and Old Dominion University have created a true gem, VMASC. VMASC has seen significant research demand in medical/health care modeling and simulation. VMASC and Eastern Virginia Medical School (EVMS) have developed a regional strategic plan to address the medical/health care area focused on developing modeling and simulation-based training capabilities for medical doctors, nurses, and other health care professionals. These efforts are being undertaken through the two institutions long standing designation as the National Center for Collaboration in Medical Modeling and Simulation. This effort is a significant public/private partnership of academic institutions, industry experts, and state and federal government. It will require a commitment of resources from all three areas to elevate Hampton Roads to national status in this area. ODU M&S Assets Old Dominion University (ODU) is the premiere modeling and simulation organization in the Commonwealth of Virginia and is a global leader in modeling and simulation education and research. Old Dominion is the only university in the country offering bachelors, masters and doctoral degree programs in modeling and simulation. It is also home to one of the worlds leading modeling and simulation research centers, the Virginia Modeling, Analysis and Simulation Center (VMASC). The first academic department of its kind in the nation, the Department of Modeling, Simulation and Visualization Engineering has 10 full-time faculty members and offers a full spectrum of degree programs, including a BS in Modeling and Simulation Engineering; MS/ME in Modeling and Simulation, and PhD/DEng in Modeling and Simulation. The masters program, which began in 1998, currently enrolls approximately 40 students, and has awarded nearly 200 degrees. Launched in 2000, the Ph.D. program currently enrolls approximately 50 students, and has awarded 13 degrees, including the worlds first Ph.D. in modeling and simulation from a university. The undergraduate M&SE program, also the first of its kind, was initiated in 2010 and will produce the first bachelor of science graduates in 2013. VMASC is ODUs world-class simulation research facility. It is housed in its own 60,000 square foot building that includes unique laboratory facilities for M&S research supporting medicine, transportation, homeland security, educational gaming, military training and experimentation, and virtual reality. The center hosts 20 research professionals and 20 technical specialists, producing annual research expenditures in excess of $7 million. Since its founding in 1997, VMASC has successfully completed more than 200 funded M&S research projects that have advanced the field, particularly in the areas of simulation interoperability and transportation system modeling. M&S-affiliated faculty, who hail from all six academic colleges and a variety of academic fields, further complement the M&S expertise of VMASC and MSVE. These faculty members utilize modeling and simulation expertise in non-engineering research areas, including arts and letters, education, health sciences and business. Additionally, they offer undergraduate minors, graduate certificates and doctoral degree tracks in modeling and simulation that complement and enhance the degree programs offered through their

55 respective colleges. The collaboration of affiliated faculty with the professional modeling and simulation faculty provides for a multidisciplinary approach not found at other universities. The M&S academic programs and associated research activities of Old Dominion University have become a model for other universities worldwide. ODU is viewed as the leader in promoting modeling and simulation as a discipline and significant contributors to and authors of a formal body of knowledge that defines the M&S profession.

Points of Contact: John Sokolowski, Ph.D. Executive Director, VMASC jsokolow@odu.edu 757-686-6232 Roland Mielke, Ph.D. Chair, MSVE Department rmielke@odu.edu 757-683-4570

Top 5 M&S Projects Old Dominion University In FY 2010, Old Dominion Universitys Virginia Modeling, Analysis and Simulation Center (VMASC) continued to grow and expand its outreach while continuing to provide its existing stakeholders with exceptional service and support. Led by Executive Director John Sokolowski, VMASC focuses on seven core MS&V areas transportation, homeland security and military defense, virtual environments, social sciences, medicine and health care, game-based learning, and supply chain modeling. In the midst of a tenuous economy and high unemployment, VMASC was able to grow its workforce and increase sponsored research activities. In FY 2010, VMASC generated 44 research proposals worth $13.1M, which were submitted to various industries, academic, local, state and federal agencies. Of those 44 submissions, 69% were accepted for award, with total expenditure exceeding $8.1M. Additionally, MS&V faculty members working in ODUs academic departments, including the newly formed MS&V Engineering Department, generated proposals worth $15.2M, which yielded an additional research expenditure of $1.7M. Total university modeling and simulation research expenditures for FY 2010 reached $9.8M. In addition, $524,469 was generated in purchase release time which was used to leverage additional personnel, equipment, and student support. Outlined below you will find a synopsis of Old Dominion Universitys Top 5 M&S projects. Virtual Operating Room (VOR) The Virtual Operating Room combines live, virtual, and constructive simulation that allows future surgeons to practice surgical and decision-making skills in a realistic operating room setting not found in traditional medical school settings. In the VOR, practicing surgeons are presented with an expansive array of medical and other problems that they might not typically or regularly encounter in a residency experience, thus helping to standardize the learning process. Hampton Roads Hurricane Evacuation Simulation ODUs VMASC developed a simulation that replicates multiple Hampton Roads hurricane evacuation scenarios to show the progress and duration of each. The simulation, utilized by the Virginia Department of Emergency Management and the Virginia Department of Transportation, allows officials to test out evacuation alternatives to support decisions on how an evacuation would progress and to vet new or revised evacuation policies to test their effectiveness. Patient Blood Management Training Simulation Routine blood transfusions during surgery have been shown to be detrimental to a patients best interest in many cases. Routine transfusions can be minimized with improved patient outcomes by practicing advanced blood management principles. Old Dominion Universitys Virginia Modeling, Analysis and Simulation Center has developed a patient blood management simulation to educate and train anesthesiologists and surgeons on these principles via a case-based simulation tool that tests their medical decision-making process while updating them with the latest techniques in this area.

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Joint Advanced Concepts In this project, researchers developed an advanced data sharing methodology that allows for the connection of military simulations, military troops in the field, and military command and control systems in a seamless manner among US and coalition forces. It not only provides the physical means to connect these systems, but also incorporates translation and ontological mapping of entities among these systems. Virtual Port Simulation ODUs VMASC developed a virtual reality simulation to train and educate workers on the operation of various container movement equipment, such as cranes and container stackers. The simulation incorporated detailed physics models of vehicles and containers, coupled with a 2D virtual depiction of a container terminal typical of the ones found in Hampton Roads. It introduces the operators of these types of vehicles to their basic operation while helping to build their operating skills.

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SOUTHWEST VIRGINIA COMMUNITY COLLEGE

1. The SWCC Nursing Workforce Diversity program utilizes state of the art modeling and simulation. The program has demonstrations which enable students experience treating patients who can actually respond and talk with them. It enables students to learn from mistakes without putting a patients life in jeopardy. 2. The Tri-College Nursing program has a Birthing Simulation which assists students in learning about the birthing process. 3. The SWCC Paramedic program has EMS/ Life Support Simulations which train students to manage emergency situations and provide for emergency care. 4. The Administration of Justice program students utilize modeling and simulation with mock crime scenes. The students get to observe the Virginia Police Academy using Use of Force simulation. 5. The SWCC Career Services office hosts the Real World Academy each year which enables high school students to experience budgeting their income and paying the expenses of running their household. This program gives the students a realistic look at what its like to work and manage a home while raising a family in todays world. It also teaches the students that sometimes choices have to be made in order to cover all the costs of living and caring for ones family. The students also get a feel for what their parents go through in their own homes. 6. Project ACCESS creates a cashiers environment for the students in the program which helps them to learn customer skills while learning to become a cashier. 7. Some of the gaming and robotics utilize modeling and simulations as well.

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THOMAS NELSON COMMUNITY COLLEGE Modeling & Simulation Report Thomas Nelson Community College offers engineering and engineering technology degrees in Modeling and Simulation and students may take the M&S courses as electives. Nursing and computer science offer students opportunities to utilize Modeling and Simulation applications. Contact information is provided below and questions may also be directed to the Engineering, Science and Allied Health Division, 757-825-2898. M&S Associate Degrees A.S. Engineering - TNCC offers a specialization in Modeling and Simulation that transfers to Old Dominion Universitys Bachelor of Science in Modeling and Simulation Engineering in the Department of Modeling, Simulation and Visualization Engineering. A.A.S. Mechanical Engineering Technology - TNCC partnered with Northrop Grumman Newport News and NASA Langley Research Center to develop a specialization in M&S for the associate degree in mechanical engineering technology.
A.S. in Engineering with major in Modeling and Simulation Transfers to Old Dominion University Dr. Ji Hyon Mun Engineering Program Head Dr. Michael Reynolds Electrical Engineering Dr. Homer Sharafi Computer Science Program Head Dr. Sathish Indika Mathematics Julie Young Mechanical Engineering Technology Program Head munj@tncc.edu 757-825-2930 reynoldsm@tncc.edu 757-825-2982 sharafih@tncc.edu 757-825-2992 indikas@tncc.edu 757-825-2893 youngj@tncc.edu 757-825-3622

A.A.S. in Mechanical Engineering Technology with specialization in Modeling and Simulation

Nursing A simulation lab will open in August 2011 with the renovation of the nursing classroom facilities in the Hampton III building on the Hampton campus. Nursing Simulation Hannah Anderson andersonh@tncc.edu Lab Nursing Program Coordinator 757-825-2809 Virtual Technology Labs Altria funded a Modeling and Simulation grant for TNCC faculty to develop 3D virtual labs in mechanical engineering technology and computer science using Second Life software. These resources are integrated into program courses. 59

Second Life applications

Michael Uenking Mechanical Engineering Technology Dr. Homer Sharafi Computer Science Program Head

uenkingm@tncc.edu 757-825-2972 sharafih@tncc.edu 757-825-2992

K-12 Outreach TNCC, partnering with the Virginia Space Grant Consortium and New Horizons Regional Education Center, offers Saturday Exploratory workshops to middle school students enrolled in GAITE, the Governors Academy for Innovation, Technology and Engineering. Modeling and Simulation is included in the sessions provided during each event with a theme of Designing the Future. TNCC conducted an M&S Summer Camp for 11th and 12th graders in GAITE in Summer 2010 with additional camps subject to funding availability. Internships/Externships/Industry Partnerships Industry partners for student internships and faculty externships are Synerject, NASA Langley Research Center, Newport News Shipbuilding, Jefferson Lab, Zel Technologies and Mitre Corporation.

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UNIVERSITY OF MARY WASHINGTON

The University of Mary Washington has varied initiatives in place that leverage Modeling and Simulation development. Among these projects are mathematics, geographic information system and economics. Keith Mellinger, associate professor and chair in the Department of Mathematics, has done work in the theory of error-correcting codes. Here, one simulates static in a digital signal to test the efficacy of a coding scheme. Errors are fed into high-powered decoding algorithms and good coding schemes will be able to correct these errors. Mellinger contact information: kmelling@umw.edu or (540) 654-1333 Leo Lee, assistant professor of mathematics, and his students use mathematical equations to model the movement of chemical pollutants through ground water. Numerical simulations are then used to determine the amount of chemical pollutant in certain areas at future times. The prices of bonds and stocks also can be modeled in this way, and accurate models are used to predict fluctuations in the stock market. Lee contact information: llee3@umw.edu or (540) 654-2016 Assessing how well satellite-collected data estimates field-collected data is important for global positioning systems (GPS). Debra Hydorn, professor of mathematics, is creating a process for manipulating data to analyze this problem and will run simulations to assess the usefulness of her methods. Her techniques look at areas with little variation in elevation versus areas with a lot of variation. Hydorn contact information: dhydorn@umw.edu or (540) 654-1330 Brian Rizzo, assistant professor of geographic information science, directs the newly approved Center for Spatial Analysis and Research (CeSAR), which is an interdisciplinary research center focused on education, research, and application development in the field of geographic information science. CeSAR provides GPS-related services in the areas of GPS education (how it works, error, accuracy and limitations), data collection, GPS field projects and importing GPS points into ArchMap. Experience working with environmental and socio-economic data provides a marketable service in data extraction, census, database development, database hosting and development of indices and variables for projects. Rizzo contact information: rizzo@umw.edu or (540) 654-1386 Robert Rycroft, professor of economics, teaches Economics of Philanthropy and the Nonprofit Sector, where the students act as a nonprofit foundation dispensing $10,000 in grants to charitable organizations in the region. Students have the sole responsibility of creating a foundation, reviewing grant applicants and determining 61

who should receive assistance. The students award the grants to one or more regional charities at the end of the course, which is independently funded by philanthropist Doris Buffett and her Sunshine Lady Foundation. Rycroft contact information: rycroft@umw.edu or (540) 654-1500

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UNIVESITY OF VIRGINIA

Modeling and Simulation Key Assets and Examples of UVa Research Utilizing Modeling and Simulation May 25, 2011 Contact: Office of the Vice President for Research, UVa Executive Summary Faculty and students from all 11 of UVas schools are conducting world-class modeling and simulation in partnership with corporate and federal sponsors. The Office of the Vice President for Research has recently created the Open Grounds project, a new forum for interdisciplinary collaborations to address research and innovation in areas involving complex systems modeling. This report is presented in three sections: 1. The top five examples of UVa modeling and simulation research activities; 2. Key cross-Grounds scientific computing hardware and software assets utilized broadly in modeling and simulation-based research, as well as a substantial array of computer and software assets that are more specialized to their respective disciplines; 3. A much larger set of examples depicting the quality, breadth, and vitality of modeling and simulation research across UVa from the Biosciences and Medicine, Engineering, Arts and Sciences, and Architecture. 1. UVas top five Modeling and Simulation Research Activities Energy/Catalysis/Materials by Design Professor - Matt Neurock, Chemical Engineering This program is focused on modeling the atomic features and molecular phenomena that govern catalysis and materials design and processing, using computational chemistry and molecular reaction modeling to examine the properties and performance for a wide range of industrially materials and processes, including metals, bimetallics, metal oxides and zeolites for their use as heterogeneous catalysis, catalytic electrodes for fuel cells, FischerTropsch synthesis, methanol fuel cells, lean burn NOx reduction, and magnetic materials for memory device fabrication. Biological Systems Networks - Assistant Prof. Jason Papin, Biomedical Engineering There are thousands of genes inside living cells that direct that activity of millions of molecules. It is necessary to understand this complex interplay of the components inside cells in order to characterize why specific mutations lead to disease or what particular components a drug should target. Prof. Papin develops computational models that represent the functions of these complex networks, which are used to predict how the cells will respond to changes in the environment and the effect of genetic mutations for a variety of applications in human disease, including cancer, infectious disease, and heart disease.

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UVa Bay Game - Professor Gerry Learmonth, Systems and Information Engineering; Jeffrey Plank, Associate Vice President for Research; and 10 other faculty from eight schools of the University The UVa Bay Game is a large-scale, agent-based simulation of the Chesapeake Bay watershed that allows players to take the roles of stakeholders, such as farmers, local policy-makers, watermen, and developers, making decisions about their livelihoods and professional expertise, and seeing the impacts of these decisions on the watershed and on each other over a twenty-year period. The results of this simulation may inform future public policies, private investment trends, and societal behaviors in ways that enhance human health, economic prosperity, and environmental sustainability. Managing Uncertainty in Simulations: UVa Modeling and Simulation Technology Research Initiative (MASTRI) Professor Paul Reynolds, Computer Science The rapid rise of simulation has out-paced our ability to properly manage complexity and uncertainty associated with the systems we now choose to model. The development of reliable methodologies for quantifying uncertainty in computer predictions stands as one of the most important and daunting challenges in advancing Simulation-Based Engineering Science. Examples of independent research groups deriving highly dissimilar results from their simulations abound. Levels of confusion in research communities often rise as a result of the proliferation of conflicting results. Years can be spent on separating faults from possible, but unexpected, outcomes. Policy-makers up to and including the US Congress and international organizations such as NATO now grapple with the conflicts and uncertainties created by conflicting simulation-based predictions. The need for managing uncertainties in simulations is a pressing national, and international, problem of greatest importance. The UVa Modeling and Simulation Technology Research Initiative (MaSTRI) is addressing this uncertainty challenge. Effect of Leading-edge Tubercles on the Flow around Wings - Professor Hossein Haj-Hariri, Chair, Mechanical and Aerospace Engineering The leading edges of whale flippers are bumpy. Simulations have shed light on the mechanism whereby such features allow aircraft to become more highly maneuverable without the threat of stall. The simulations, performed on a deskside 64-procesor Cray computer, show that a number of small, sacrificial stall zones are developed, which in turn energize the remaining flow and keep it attached to the wing, and hence prevent (catastrophic) stall.

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2. Key cross-Grounds modeling and simulation assets in broad use in scientific computing at UVa a. The UVa Alliance for Computational Science and Engineering (UVACSE) Established in 2008, The University of Virginia Alliance for Computational Science and Engineering (UVACSE) seeks to transform computational research across Grounds. As the need for computational techniques in all disciplines increases, UVACSE serves researchers through education, consultation, and management of shared compute resources. Our consultation services provide researchers with directed, focused help on a specific project for a limited duration. UVACSE has assisted researchers in the Colleges and Schools of Architecture, Arts and Sciences, Education, Engineering and Applied Science, and Medicine. In particular, there are dedicated staff with backgrounds and expertise in modeling and simulation pertinent to engineering and natural sciences. UVACSE has participated in many projects of this nature and continues to expand its activities to support modeling and simulation projects in many divisions of the University. UVACSE educational activities include short courses in various programming topics. A key educational offering is the annual week-long High-Performance Computing Bootcamp, which offers the opportunity for current and future scholars to gain expertise in advanced computational practices and apply it to their chosen field of research. Each day consists of lectures on topics of program optimization and parallelization, followed by hands-on computer exercises with multiple support staff present to assist participants. Bootcamp attendees have included UVa students, faculty, staff, and graduates as well as students from other universities around the Commonwealth and some employees of nearby technology companies. b. The Cross-Campus Grid (XCG) The XCG brings together resources from around Grounds as well as at some participating external sites. The Grid provides access to a variety of heterogeneous resources (clusters of various sizes, individual parallel computers, and even a few desktop computers) through a standard interface, and leverages UVas investment in hardware and making it possible for large-scale high-throughput simulations to be run at a fraction of the typical investment necessary. Genesis II, a software system developed at the University by Prof. Andrew Grimshaw of the Computer Science Department implements the XCG. UVA is an international leader in the Open Grid Forum (OGF), a community of users, developers, and vendors leading the global standardization effort for grid computing; it is funded through its Organizational Members, including technology companies and academic and government research institutions. The OGF consists of thousands of individuals in industry and research, representing over 400 organizations in more than 50 countries. The OGF works to accelerate adoption of grid computing worldwide because grids will lead to new discoveries, new opportunities, and better business practices. UVAs Genesis II is the first integrated implementation of the standards and profiles coming out of the Open Grid Forum (the standards organization for Grids) Open Grid Service Architecture Working Group.

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The XCG grid greatly extends the reach of computational scientists. (Source: Andrew Grimshaw, UVa Computer Science and Engineering) OGF hosts several events each year to further develop grid-related specifications and to share best practices. OGF is an open community committed to driving the rapid evolution and adoption of applied distributed computing. Applied Distributed Computing is critical to developing new, innovative, and scalable applications and infrastructures that are essential to productivity in the enterprise and within the science community. OGF accomplishes its work through open forums that build the community, explore trends, share best practices and consolidate these best practices into standards. The XCG is used across a variety of disciplines, including Economics, Biology, Engineering, and Physics. The services offered by the XCG provide users with faster results and greater ability to share data. By using the XCG, a researcher can run multiple jobs tens to hundreds of times faster than would be possible with a single desktop. The XCG also shares or exports data. Local users and XCG users can manipulate the exported data. Through the XCG we also participate in projects supported by the National Science Foundations XD (extreme digital) program for supercomputing initiatives.Other, Highly Specialized Modeling and Simulation Assets at UVa. c. Examples of other, highly specialized Modeling and Simulation Assets at UVa The JDRF Metabolic Simulation Core Facility at the University of Virginia: Unique academicindustrial partnership creating a new paradigm for medical research

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Background: In 2007, UVa scientists proposed to the U.S. Food and Drug Administration (FDA) that computer simulation could replace animal trials in the pre-clinical testing of insulin treatment strategies, in particular artificial pancreas algorithms. The computer simulator proposed to the FDA was based on a detailed mathematical model of the human metabolic system and on a large database accumulated by our colleagues at the University of Padova, Italy. Technology and In-Silico Pre-Clinical Trials: In January 2008, the simulation environment was accepted by the FDA as a substitute to animal trials, setting a unique precedent for the first time efficient in silico experiments could replace costly animal trials, saving years and millions of dollars, and accelerating immensely the development of artificial pancreas. Since then, the simulator has been used by a number of groups around the world obtaining regulatory approvals for human clinical trials without preliminary animal studies. In fact, since the introduction of our technology, animal studies in the area of artificial pancreas have been virtually discontinued worldwide. Thus, the following paradigm has emerged: (i) in silico computer experiments can produce credible pre-clinical results that can substitute certain animal trials, and (ii) in silico testing yields these results in a fraction of the cost and time. Intellectual Property and Technology Transfer: These advances have lead to the creation of the Metabolic Simulation Core Facility at the University of Virginia, sponsored by the JDRF and directed by Dr. Marc Breton. A subcontract from UVa created an affiliated facility at the University of Padova. This Simulation Core is charged with further developments of the human metabolic model, and with inclusion of new drugs and medical devices in the simulation platform. The simulation technology was transferred to the Epsilon Group Virginia - a Charlottesville, VA, company that is now providing services to industrial partners as well as licensing of the simulation platform internationally. As of May 2011, the simulation platform is still unique worldwide and has been in use by more than 30 industrial and academic entities. Environmental Sciences Modeling and Simulation Assets While many models being used in departmental research can be run on advanced desktop computers, some large models particularly atmospheric circulation models, hydrodynamic circulation models and landscape evolution models require multiple processors to run efficiently. Within the Environmental Sciences department there are three computer clusters to run large models: Rack mounted computational cluster includes an 8-node Apple cluster. Each node of the cluster contains two 2.26-GHz quad-core Intel Xeon Nehalem processors, 12 GB of RAM, and 160 GB of storage. The nodes are interconnected with 10 Gigabit Myrinet Ethernet connections and associated switch. Storage consists of a single 16 TB Promise VTrack RAID. A maximum of 16 cpus or 64 virtual cpus (via Nehalem hyperthreading) may be used by a single user at a time. A computational cluster comprises a 64 processor linux cluster with 12 TB of harddisk space. It is mainly meant for atmospheric simulations using the WRF and WRF-Chem models (open-source community models). A computational cluster includes a12 node (2 GB RAM each node), dual core linux cluster with the OSCAR clustering software system, dual-core head-node w/ 4GB RAM and 1 TB file storage, 2 TB Fileserver (not currently in operation), Netgear GigE

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Ethernet Switch for passive and file-transfer communication, HP ProCurve GigE Switch for MPI & Parallel internode communication In addition, faculty and students use the Universitys High Performance Computer (HPC) Cluster, the Cross-Campus Grid (XCG), as well as several HPC systems housed elsewhere (including Oak Ridge National Lab and the University of Colorados CSMDS HPC). Software for Modeling and Simulation of Atomic-Scale Processes in Catalysis for Energy, Materials by Design, and Materials Processing (Chemical Engineering) A suite of software tools has been developed that enable understanding of adsorbatesurface interactions and quantification of the energetics of elementary reaction steps used to simulate the vast array of competing elementary surface steps, to follow the temporal surface structure, and to model material performance and processing, providing a framework to manipulate atomic scale features (defect sites, alloys, supports solvents) for design of new materials. The computational tools developed range from ab initio density functional theory and ab initio molecular dynamics methods to calculate the detailed electronic structure to first-principles based kinetic Monte Carlo simulation in order to follow the reaction kinetics.

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3. Examples from across UVa of research utilizing modeling and simulation a. Biosciences Research Subcellular Compartmentation Of Biochemical Pathways In The Heart - Assistant Prof. Jeff Saucerman, Dept. of Biomedical Engineering; funded by National Institutes of Health Heart function and disease are controlled by complex networks of biochemical reactions that are just beginning to be mapped out. One of the grand challenges in biology is to understand how cells make decisions about how to respond to their environment. This basic science question has important implications for our ability to control cellular decisions in heart disease. In this project, researchers are studying a biochemical pathway involving protein kinase A (PKA) that controls the exercise-induced increase in heart rate and contraction. While this pathway is normally beneficial, PKA overstimulation after a heart attack contributes to electrical aberrations and heart failure. Researchers are developing detailed computational models of the heart to identify strategies to control cell decisions involving PKA. These computational models are run on the University of Virginias 200 node linux cluster and a 422 node cluster at the University of Connecticut. Then researchers experimentally test these strategies by manipulating individual heart cells. We have found that PKA is able to control multiple cell functions by using subcellular compartmentation, where biochemical pathways multitask in distinct cellular compartments. These findings will provide a foundation for the future development of novel therapeutics that manipulate PKA compartmentation in the heart.

Computational Model

Experiment

Computational model predictions and experimental measurements of PKA signaling gradients in a single heart cell.

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Microvascular Research - Associate Professor Shayn Peirce-Cottler, Biomedical Engineering The microvasculature, a complex network of highly specialized blood vessels, is capable of growing and altering its structure and function to regulate blood flow and accommodate the changing metabolic needs of the body's tissues. Microvascular growth and remodeling are important in pathological conditions, such as wound healing, ischemic disease (e.g. peripheral vascular disease and heart disease), and tumor growth. Researchers study microvascular growth and remodeling using novel computational and experimental techniques, including agent-based computational models and thin tissues that enable visualization and manipulation of entire microvascular networks in vivo. Researchers also develop therapeutic approaches to grow and regenerate injured and diseased tissues by manipulating the structure and composition of the microvasculature. Rapid Magnetic Resonance Imaging - Associate Professor Craig Meyer, Departments of Biomedical Engineering and Radiology Research focused on developing new magnetic resonance imaging (MRI) techniques, especially techniques that acquire the image data very rapidly. This work involves MRI physics, signal processing, and image reconstruction techniques. Rapid MRI acquisition is particularly important for cardiac studies, because of cardiac and respiratory motion. Researchers technique being studied is real-time interactive imaging, which allows images of the beating heart to be acquired, displayed and controlled in real-time. This technique allows rapid evaluation of cardiac function and rapid scout scans of the coronary arteries. Researchers are currently working to enhance the image frame rate and resolution using new image reconstruction methods implemented on dedicated high-performance Linux clusters. In addition to real-time imaging, techniques are employed to generate highresolution images of the coronary arteries within a breath-hold. High-resolution images are being applied to noninvasive coronary angiography and coronary vessel wall imaging. There are also active collaborations with other labs at UVa on a variety of projects. One such collaboration is focused on developing new contrast agents and imaging methods for targeted molecular imaging of vulnerable atherosclerotic plaque, which has as its long-term goal preventing cardiovascular events. Another collaboration is focused on developing image-based models of musculoskeletal disease. Another is the study peripheral arterial disease through a set of MRI methods and developing new methods of characterizing heart failure. In collaboration with the active hyperpolarized gas imaging group, researchers are developing fast imaging methods of imaging the lung. The Artificial Pancreas Project - Boris P. Kovatchev, Ph.D. and Marc Breton, Ph.D., University of Virginia Center for Diabetes Technology International multi-institutional research initiative supported by the Juvenile Diabetes Research Foundation (JDRF), the National Institutes of Health, and by philanthropic and industrial funding. Background: In both human and economic terms, diabetes is one of the most costly diseases. According to the American Diabetes Association, 25.8 million people in the United States alone (and 285 million worldwide) have diabetes. The 2007 estimated costs of diabetes in the U.S. were $218

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billion. There is no cure the only proven treatment is tight glucose control. In September 2006, JDRF initiated the Artificial Pancreas Project aiming to automate glucose control in diabetes. UVa was one of six centers funded to carry this cutting-edge research. In 2008, the National Institutes of Health launched an artificial pancreas initiative out of eight funded projects, two were at UVa. In 2010, the European AP@Home consortium was established two of its centers (Italy and France) are closely affiliated with UVa. Figure 1 presents the principal components of an artificial pancreas system: continuous glucose monitor and insulin pump, linked via smart control algorithm which takes into account glucose fluctuations and past insulin delivery to compute precise insulin dosing in real time. Technology and Clinical Trials: The UVa team focuses on technologies and clinical trials related to the development and testing of artificial pancreas control algorithms, including computer modeling, in silico pre-clinical experiments, system architecture, and safety. Figure 2 presents the map of research centers around the world adopting UVa technology. So far 60 patients were enrolled in UVa studies one of the strongest track records worldwide; two new studies are under way. UVas Dr. Stacey Anderson holds the World record for most conducted artificial pancreas trials. In these studies the artificial pancreas, compared to state-of-the art treatment, improved greatly patients glucose control increasing significantly their time within target glucose range and simultaneously reducing the incidence of hypoglycemia.

Intellectual Property, Clinical Translation, and Awards: According to the UVa Patent Foundation, Artificial Pancreas Project technologies were granted 36 patents in 11 countries, with 62 other patent applications pending. Relations have been established with industry leaders, including Johnson & Johnson, Abbott labs, Eli Lilly & Co, Roche Diagnostics, Amylin Pharmaceuticals, and others. The UVa Artificial Pancreas Project was recognized through its Principal Investigator Dr. Boris Kovatchev with the 2008 Diabetes Technology Leadership Award of the U.S. Diabetes Technology Society, by U.S. News and World Reports Pioneers of Medical Progress in 2009, and by the 2011 UVA Patent Foundations Edlich-Henderson Inventor of the Year Award.

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Contribution of cell pathways and heterogeneity to development and treatment of cancer Inverse modeling of small-sample gene-expression profiling measurements Assistant Prof. Kevin Janes, Dept. of Biomedical Engineering Transcriptional heterogeneities among cell populations are important for the development and pathology of many tissues. However, population measurements in whole-tissue extracts fail to capture these heterogeneities. Researchers previously developed a technique to identify heterogeneous transcriptional programs from repeated 10-cell measurements1. This stochastic-profiling technique successfully identified 547 heterogeneously transcribed genes in a three-dimensional culture model of mammaryacinar morphogenesis. However, the method provided no information about the characteristics of the cellular subpopulations that gave rise to the predicted heterogeneities. Researchers are working to develop and validate a computational approach for estimating the fraction of the total cell population that strongly and nonuniformly expresses a specific transcriptional program. Profiles from normal mammary cells and breast cancer cells are being compared. The researchers model contains three parameters for a heterogeneously expressed program: the fraction of cells with high gene expression (F), the fold change in magnitude between the low and high expression populations (D), and the coefficient of variation of the program (CV). Using computer clusters at the Helmholz Center in Munich with our collaborator Fabian Theis, researchers enumerated all feasible combinations of parameters and generated reference probability distributions for each combination. Experimental distributions from stochastic profiling were then compared to each reference distribution. The best-fit reference distribution (Figure 1) was determined as the minimum difference between quantiles of the experimental and reference distributions.

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Based on the 10-cell microarray experiments from Janes et al.1, the model is being applied to two pronounced gene clusters to predict the fraction of cells strongly expressing either program. RNA fluorescence in situ hybridization (RNA FISH) is then used to directly quantify the fraction of cells with high gene expression in three-dimensional acinar structures. Our hope is that with the same stochastic-profiling first used to identify heterogeneous expression programs, we can now estimate the fraction of the population that highly expresses the program. This additional information will be critical for linking heterogeneous programs to heterogeneous phenotypes in the future. For example, cancer heterogeneities, or cells within the same tumor expressing different levels of proteins and signaling molecules, has great importance in prognosis and treatment strategies for tumors. The consequences of RNAi knockdown and small-molecule inhibition on signal propagation in three-tiered enzymatic cascades are being examined. The group has exhaustively modeled all possible combinations of 12 positive and negative feedbacks within the cascade and identified several subnetworks where RNAi and inhibitors were predicted to be strongly discordant. For one specific cascade of protein kinases, it has been shown experimentally that RNAi knockdown is far less effective at blocking signaling output compared with an inhibitor, even when both perturb the targeted kinase equally well. Researchers are currently exploring whether our experimental results can be captured with a more-detailed mechanistic model of this cascade. In addition, a second cascade comprised of protease enzymes is being explored, where the exhaustive model predicts that RNAi would be more potent at inhibiting pathway output compared to pharmacologic

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inhibition. Our work suggests that for particular network configurations, extreme caution should be used when comparing enzyme perturbations that are mechanistically distinct. Overall, this approach has great relevance to developing anticancer therapies against defined molecular targets. REFERENCES 1. Janes, K. A. et al., Identifying single-cell molecular programs by stochastic profiling. Nat Methods 7 (4), 311 (2010). 2. Janes, K. A., Reinhardt, H. C., and Yaffe, M. B., Cytokine-induced signaling networks prioritize dynamic range over signal strength. Cell 135 (2), 343 (2008). Finite Element Modeling of Heart Muscle - Associate Professor Jeffrey Holmes, Dept. of Biomedical Engineering and Medicine The Cardiac Biomechanics Group focuses on the interactions between mechanics, function, and growth and remodeling in the heart. The mechanical properties of normal and diseased myocardium are important determinants of overall heart function. Finite element modeling provides significant insight as to how these mechanical properties change during growth, remodeling or disease, often in part as a response to changes in the mechanical environment. The group studies this interplay between mechanical environment, tissue response, and heart function, not only to better understand the basis for heart disease but also to identify new opportunities to intervene. Currently, projects are related to myocardial infarction (MI): a translational effort to help prevent MI by developing new quantitative measures of heart wall motion that improve screening for coronary artery disease; a basic biomechanics project focused on understanding how the structure of a healing infarct gives rise to its mechanical properties and how those mechanical properties influence overall heart function longer-term efforts to determine how mechanical factors regulate both cardiac wound healing and remodeling of non-infarcted myocardium in post-MI patients.

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b. Engineering and Applied Sciences Chemical Engineering Catalysis - Professor Matt Neurock, Chemical Engineering
This research program is focused on modeling the atomic features and molecular phenomena that govern catalysis and materials processing, using computational chemistry and molecular reaction modeling to examine the properties and performance for a wide range of different material including metals, bimetallics, metal oxides and zeolites for their use as heterogeneous catalysis, catalytic electrodes for fuel cells, and magnetic materials for memory device fabrication. The performance of these materials depends on their atomic surface structure and composition. The chemistry and kinetics at a solid-fluid interface are controlled by chemical bonding between the adsorbates and the surface as well as the environment at the active site. Researchers are currently examining a number of industrially relevant catalytic chemistries including the selective hydrogenation of oxygenates, the selective hydrogenation of alkynes, vinyl acetate synthesis, Fischer-Tropsch synthesis, methanol fuel cells, lean burn NOx reduction, oxychlorination of olefins, amination of alcohols, and olefin epoxidation. In addition, researchers are also looking at the processing of giant magnetoresistant materials for memory fabrication. Complex Systems Research - Prof. John Hudson, Chemical Engineering, and member of National Academy of Engineering The Hudson group studies collective behavior of dynamic reaction systems with an emphasis on dynamic complexity and spatiotemporal patterns arising from interactions among rhythmic processes. Electrochemical reactions including metal dissolution and electrocatalytic reactions are studied both as model systems and as important applications. Researchers use individually addressable arrays of electrodes to investigate phenomena such synchronization, desynchronization, dynamical differentiation and clustering of oscillating reactions. An application in electrochemistry is the role of interaction of local metastable events on the sudden onset of pitting corrosion. Coupled rhythmic processes are also being studied in complex biological systems. Researchers are investigating the mechanism of how individual cellular units interact to produce complex collective behavior. One study is directed toward understanding the role of synchronization involved in neurological diseases such as epilepsy.These investigations utilize nonlinear feedback, constructed with the help of experiment-based models, to design complex dynamic structure and tune emergent collective behavior in systems composed of many discrete elements. The Hudson group actively collaborates with UVa research groups in Materials Science, Biology, and Neurology at the Medical School as well as with groups at other universities and laboratories in the United States and overseas. Electrical and Computer Engineering The Center for Safe and Secure Nuclear Energy - Professor Barry Johnson, Senior Associate Dean, School of Engineering and Applied Science This lab conducts applied and basic research to create new and improved instrumentation and control technologies to ensure the safety and security of nuclear power plants; transfer technology from the research laboratories to practical, commercial applications; educate the next generation of students in nuclear reactor operation and control, and the design, analysis, operation, and maintenance of instrumentation and control systems; and, serve the nuclear industry by providing research, technology transfer and educational activities that support workforce training and development, as well as new technology creation and

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commercialization. Materials Science and Engineering Corrosion and Surface Science - Professors John Sculley, Richard Gangloff, and Robert Kelly Research areas include studies of passivity, localized corrosion, protective coatings, environmental effects on composites, aging aircraft, and degradation of reinforced concrete. Studies of the localized corrosion of metals and alloys include both experimental and computational projects aimed at better understanding the links among alloy metallurgy, environment, and resistance to attack. The degradation of steel-reinforced concrete plagues many parts of the U.S. as well as many other nations. Projects are underway that seek to better understand the controlling processes as well as develop costeffective means of monitoring, inhibiting and mitigating the corrosion of the embedded steel. Several aspects of the problem of aging aircraft are under study including the development of predictive corrosion models, understanding organic coating failure, and the corrosion and environmental fracture of conventional and advanced aluminum alloys. Mechanical and Aerospace Engineering Towards a Mission-Configurable Stealth Batoid - Multidisciplinary University Research Initiative; Office of Naval Research 2008-2013 - Professors Hilary Bart-Smith, Hossein HajHariri The overarching goal of this effort is to understand the biomechanics, the neuronal control, the mechanical actuation, the material properties, and the hydrodynamics of the batoid class of swimmers. Members of this family are the Manta ray, and stingray, among others. The scientific understanding of the coupling of the above aspects of the batoid will lead to better understanding of what constitutes an optimal gait of motion for a given swimmer or flyer. The computations use solution-adaptive grids which automatically refine themselves in the wake of the wing so as to capture the fine details that contain all the relevant signatures of the natural or artificial animals gait. This result is a snapshot of a timeresolved simulation which typically uses over 20-million grid points in space. Most of the simulations are performed on the teragrid facilities in Texas.

The cores of highly rotational fluid in the wake of the (grey) flapping wings of a manta ray. (Pederzani and Haj-Hariri, Mechanical and Aerospace Engineering).

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Effect of Leading-edge Tubercles on the Flow around Wings, part of Multidisciplinary University Research Initiative; Office of Naval Research 2008-2013 - Professor Hossein HajHariri The leading edges of whale flippers are bumpy. Simulations have shed light on the mechanism whereby such features allow a wing to become more highly maneuverable without the threat of stall. The simulations, performed on a deskside 64-procesor Cray computer, show the underlying physics as one where a number of small, sacrificial stall zone are developed, which in turn energize the remaining flow and keep it attached to the wing, and hence prevent (catastrophic) stall.

Streamlines of flow over a wing with tuberceled (bumpy) leading edge, showing sacrificial separation zones that energize the remaining flow and maintain an overall attached (unstalled) flow.

Computational fluid dynamics with chemical and combustion processes. An example using XCG - Professor Harsha Chelliah, Mechanical and Aerospace Engineering Primary research interests are focused on two areas, (i) development of reduced reaction models for high-speed reacting flow applications (AFOSR/NASA Hypersonics Propulsion Center), and (ii) soot particle formation mechanisms under high-pressure conditions (RollsRoyce/VA State). Additional interests include alternate energy topics as well as more fundamental topics such as flame-acoustic interactions, two-phase reacting flows, fire suppression (Boeing), etc.

Flow with combustion. (Source: Harsha Chelliah and Gaetano Esposito) Center for Applied Biomechanics - Professor Jeff Crandall Development and Validation of a Pedestrian Finite Element (Sponsor: General Motors, 2001-2006)

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Pedestrians are the most vulnerable road users. About 65 percent of the road crash related fatalities in the world are pedestrians, of which 35 percent are children. The lower limb trauma is the most common injury in pedestrian accidents due to the fact that the initial impact between the vehicle front and the pedestrian occurs generally at the lower limb region. The goal of this effort was to develop an accurate numerical model of a human in standing (pedestrian) posture which can be used by automobile manufacturers in design of injury countermeasures for new vehicle front-ends. A lower limb model was developed based on geometry reconstructed from the medical images (CT-scans) of a male with an average anthropometry (50th male) and validated against data recorded in tests with cadaveric specimens. Optimization techniques were used to insure consistency among all material test and component test conditions. The pedestrian model was created by connecting the lower limb model developed at UVa with the models of other human body regions provided by the project sponsor. Pedestrian-vehicle simulations were performed to verify the model against data recorded in UVa vehicle-pedestrian tests and to better understand the lower limb injury patterns.

The knee model with detailed models of bones and soft tissues; Pedestrian model during the vehicle-human impact simulations (Profs. Untaroiu, Darvish, and Crandall) Investigation of the effectiveness of novel pedestrian systems in reducing pedestrian upper body loading during pedestrian accidents (Sponsor: Autoliv, 2008-2011) Regulations covering pedestrian protection have been recently implemented and pedestrian protection was included in the overall rating of new cars in Europe and Asia. This effort has led to the development of several design solutions to mitigate pedestrian head injuries. Deployable devices (e.g., pop-up hoods and airbags) have been implemented in the hood, the cowl, and the A-pillar area. While these solutions have shown good performance in the sub-system regulations and consumer tests that use head-form subsystem tests, only no studies have been performed to evaluate the effectiveness of these systems using pedestrian full-body impacts. The goal of this research was to evaluate numerically the potential of active (automatic braking), passive (deployable hood and airbag), and integrated countermeasures to reduce pedestrian head and chest injury risks. Generic vehicle models corresponding to mid-size and large-size sedans were developed using numerical impact simulations based on UVa experimental data. In addition to the standard vehicle buck models, models of injury countermeasure devices provided by our sponsor (a supplier for automotive safety systems) were implemented. Models of pedestrian dummies

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with different anthropometries developed by UVA-CAB (Center for Applied Biomechanics) computational group were used in pedestrian-vehicle simulations. While all standard countermeasures showed benefit in a majority of impact configurations in terms of injury prevention, it was showed that greater injury reduction may be achieved by optimizing the parameters of the passive countermeasures for full-body loading. A new collaboration project with Autoliv and Honda will be performed next year to verify experimentally the results of this numerical study.

Pedestrian airbag deployable hood

Pedestrian and vehicle without injury countermeasures

with a vehicle with injury countermeasures

Position of pedestrian at time of head impact with the vehicle buck (Frederickson, Shin and Untaroiu) Improvement and validation of a THOR dummy finite element model (Sponsor: NHTSA, 2008-2013) Anthropometric test devices (dummies) are frequently used in crash testing to evaluate injury risk for vehicle occupants. The THOR (Test device for Human Occupant Restraint) dummy has been developed and continuously improved by the NHTSA (National Highway Traffic Safety Administration), and has shown improved biofidelity in impact tests relative to the Hybrid III, the dummy used in the current regulations. While experiment testing is the current basis of crashworthiness evaluation for new car models, rapid advances in both computational power and crash simulation technology enables the use of a complementary computational component during the manufacturers design process, especially in the optimization of vehicle components or restraint systems. The goal of this research is to evaluate and improve biofidelity using a finite element (FE) model of THOR dummy to match the response of physical dummy in certification tests and full crash scenarios. A three-dimensional FE model of the head and neck was developed in LS-Dyna based on the drawings of the THOR dummy. The material properties of deformable parts and the joints properties between rigid parts were assigned initially based on data found in the literature, and then calibrated using optimization techniques. Frontal impact test data using THOR dummy and biomechanical requirements defined from volunteer test data are used to calibrate the model. To better understand the data variations observed in testing, sensitivity analysis methods (e.g. ANOVA, Sobol indices) are employed. This effort is coordinated by a THOR FE model group with 54 members from academia, government and industry from US, Europe, and Japan. UVa is leading this computational group.

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Finite element model of a THOR (Untaroiu and Lu)

THOR Finite Element (FE) dummy during a frontal crash simulation

Development and validation of an Occupant finite element model (Sponsor: Global Human Modeling Consortium, 2006-2011) It is well known in the automotive safety community that an advanced human body model (HBM) better predicts the effect of trauma on the body than they have traditionally been able to do with crash test dummies. The new HBMs contain detailed representation of the bones and soft tissues of the human body, with special attention being directed to those parts that are frequently injured in vehicle crashes. Such advanced HBMs will support computer simulations, such as virtual crash tests, to help better understand human reactions and to improve automotive safety. The GHBMC (Global Human Modeling Consortium), a consortium of nine automakers and two suppliers, brings together research leaders in the field of injury biomechanics and computer modeling, collaborating to create models of the human to be recognized globally as being world standards for injury prediction. Additionally, the use of HBMs will enable better prediction of traumatic injury at detailed levels. Six Centers of Expertise (COEs) have been formed and include a full body integration center together with five body region centers: head, neck, thorax/upper extremities, abdomen, and pelvis/lower extremities. UVa is leading two COEs for thorax/upper extremities and pelvis/lower extremities. The goal of the first part of the project is the development of the most advanced human model of a 50th male. In future research, the GHBMC plans to expand the initial model to represent other human body shapes, sizes and ages. Eventually, the GHBMC plans to create an extended family of virtual humans from children to senior adults.

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GHBMC Human Finite element model (50th male)Pedestrian impact

Pelvis/Lower Limb FE model (Yue, Shin, Untaroiu)

Computer Science and Engineering Managing Uncertainty in Simulations - Professor Paul Reynolds Astrophysicists are simulating the universe; biologists and physiologists seek to replace five-year clinical trials with one-day computer simulations; and engineers simulate entire buildings. Simulation is expanding our horizons rapidly; in two decades it has become the third leg of scientific pursuit. Unfortunately, the rapid rise of simulation has out-paced our ability to properly manage complexity and uncertainty associated with the systems we now choose to model. A blue-ribbon panel for the National Science Foundation has declared recently that The development of reliable methodologies for quantifying uncertainty in computer predictions stands as one of the most important and daunting challenges in advancing SBES [Simulation-Based Engineering Science]. Examples of independent research groups deriving highly dissimilar results from their simulations abound. Levels of confusion in research communities often rise as a result of the proliferation of conflicting results. Years can be spent on separating faults from possible, but unexpected, outcomes. Policy-makers up to and including the US Congress and international organizations such as NATO now grapple with the conflicts and uncertainties created by conflicting simulationbased predictions. Their decisions can affect billions of dollars and millions of people. The need for managing uncertainties in simulations is a pressing national, and international, problem of greatest importance. The UVa Modeling and Simulation Technology Research Initiative (MaSTRI), headed by Professor Paul Reynolds of the UVa Computer Science Department, is addressing this uncertainty challenge. To understand one of MaSTRIs pursuits, consider the little known fact that a sailboat can sail faster than the speed of wind. (Anecdotal evidence suggests only one in twenty people knows this.) For a scientist unaware, a fasterthan-the-wind outcome in a computer-based sailboat simulation would immediately be suspect. The scientist would have to http://images.linux determine whether the observed simulated behavior is a logical error idx.com a fault in the simulation, or whether the simulation is revealing a previously unknown to the scientist at least capability of sailboats. Currently the tools available to scientists and engineers for exploring these kinds of questions are few.

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MaSTRI is researching and developing automated tools to address this uncertainty challenge. Recently the group has successfully developed the tool, ESP, for rapidly identifying sources of unexpected outcomes with high confidence. Not only is the tool the first of its kind for software with the properties of typical simulations, it is better than all related tools on general purpose software. While ESP is top of its class, it is not capable of separating software faults from causes of legitimate unexpected outcomes. The MaSTRi group is pursuing this question aggressively. In separate research MaSTRI researchers have demonstrated that experts are not necessarily strong in identifying assumptions made in the simulations of others. In one experiment, a simple simulation of a falling body was examined by experts. No single expert succeeded in identifying more than 2/3rds of the assumptions made in the simulation. MaSTRI researchers hypothesize that quantification of uncertainties in simulation outputs may assist in reduction of uncertainties about assumptions, including those as yet unrealized by the scientist. Thus the group is exploring methods for quantifying uncertainties in simulation outputs. In 2009 a MaSTRI engineering undergraduate won a national award for her explorations into this problem. The focus of her research was conflict in multiple simulation-based predictions emerging from an NIH program exploring the spread of dangerous biological agents. Professor Reynolds has conducted research on modeling and simulation technologies for over 30 years. He has published extensively in the area. He was a member of the original design team and later the architecture management group for the Department of Defense High Level Architecture (IEEE standard 1516) for managing globally distributed simulations. He holds the title of Expert for the US Army in Modeling and Simulation. He has supervised nearly 60 graduate degrees at UVa and sent many undergraduate research advisees to the best graduate programs in the country. Systems and Information Engineering Wireless Internet Center for Advanced Technology (WICAT) - Professor and Chair, Barry Horowitz This NSF funded multi-university center led by UVa focuses on "Rapidly Reconfigurable Systems"; its activities are organized around a multi-scale view of systems, ranging from component technology to systems control. Horowitz, a member of the National Academy of Engineering, started the UVa site two years ago. A dozen faculty members from the Electrical and Computer Engineering Department and the Systems and Information Engineering Department combine to carry out the research efforts with graduate students and selected undergraduate students. To date, the UVa Center has focused on two application areas - military/homeland security systems and health care systems. The Center has worked on five areas of technology research within these application domains: 1) wireless sensor networks, 2) mobile communications networks, 3) image processing and video streaming for mobile users, 4) enterprise information system architectures and designs for serving mobile users, and 5) health-care body networks (e.g., sensors and drug delivery systems carried on-body). The Center's health-care efforts are in collaboration with the UVa medical school.

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Arts and Sciences Modeling and Simulation in Astronomy Modeling and simulation in Astronomy are used as a means of studying exotic phenomena that we can only observe at a distance through telescopes. Modeling has played a significant role in the discipline, from the early models of stars computed on primitive calculating machines, to simulations of large sections of the universe run on the largest available supercomputers. For astronomers, the process of modeling and simulation generally entails solving complex differential equations for the time-dependent behavior of gas, magnetic fields, radiation, and nuclear and chemical reactions. The Astronomy department at the UVa operates and maintains a 32-node InfiniBand-interconnect Linux cluster for parallel computing in support of its modeling and simulation efforts. Astronomy Department Faculty engaged in Modeling and Simulation are: Professor John Hawley: Develops simulation codes for compressible magnetohydrodynamics with a particular application to studying magnetized gas in orbit around black holes, so-called accretion disks and collimated relativistic plasma jets produced by super-massive black holes in galaxy centers. Prof. Hawley is a user of the NSF Teragrid supercomputing facilities.

Illustration of astronomical accretion-disk simulations. (Source: John Hawley, UVA Astronomy) Professor Zhi-Yun Li: Applies simulation codes to the problem of star formation and the gravitational collapse of magnetized molecular clouds that produce stars. Assistant Professor Phil Arras: Models and simulates the atmospheres of planets around other stars, specifically the so-called Hot Jupiters, giant planets that orbit close to their star. Physics

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Several researchers in the Physics Department study high-energy physics. A group led by Prof. Robert Hirosky has been using the XCG to run thousands of simulations of particle events at a collider; without the XCG their work would not have been feasible.

Illustration of a simulation of particle tracks in a detector. Another researcher in the department, Simonetta Liuti, has been working on a program to study the structure of the proton using the results of experiments performed at a variety of sites, including the Thomas Jefferson National Laboratory in Newport News in the Commonwealth; we have provided direct programming support for this project. Environmental Sciences A number of faculty in Environmental Sciences are involved in development of numerical models to investigate and simulate environmental processes, including: Alan Howard has developed a number of landscape simulation models to investigate landscape evolution on Earth and Mars. His MARSSIM landform evolution model is available through his website (erode.evsc.virginia.edu) and through the Community Surface Dynamics Modeling System (CSDMS) software repository. This model has been used to investigate the role of water in shaping the surface of Mars. Dave Smith has been very involved with other faculty in the development and running of the Bay Game, a large-scale agent-based simulation of the Chesapeake Bay watershed that allows players to take the roles of stakeholders, such as farmers, local policymakers, watermen, and developers, make decisions about their livelihoods and professional expertise, and see the impacts of these decisions on the watershed and on each other over a twenty-year period. The results of this simulation may inform future public policies, private investment trends, and societal behaviors in ways that enhance human health, economic prosperity, and environmental sustainability. Hank Shugart has led the development effort of forest gap models that simulate the dynamics of a forest by following the fates of each individual tree in a forest stand. The models project the annual growth, death and regeneration of individual tree in a patch. Gap models are important because of their widespread applications in assessing the effects of environmental change on forests. Shugart and his students have applied these models to investigate forest dynamics in many parts of the world, including Russia.

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Many faculty in Environmental Sciences use models as a part of their research, summarized here: Kyle Haynes does modeling of forest insect population dynamics to investigate the biotic processes (e.g., trophic interactions) influencing the periodicity and spatial synchrony of forest insect outbreaks. Simulation models are run on his high performance desktop and a few laptops; software used to run these models includes Matlab and R. Amato Evan is running a radiative transfer model and a general circulation model in order to study climate variability at regional to global scales. Patricia Wiberg is using an open source ocean circulation model, FVCOM, to model flows of water, transport of sediment and nutrients and effects of storms in the shallow bays of the Virginia Coast Reserve on the Eastern Shore of Virginia. Matt Kirwan develops and applies models to investigate the development of channel networks in salt marshes, including the impacts of disturbance and climate change. Paolo DOdorico is beginning to work on coupled hydrological sociological economic modeling related to globalization of water resources. This work has earned him a Guggenheim Fellowship. Economics Researchers from social sciences, Federico Ciliberto and Dukpa Kim of the Economics Department each ran hundreds of jobs on the grid for their projects using XCG resources.

Inference on market power in markets with multiple equilibria. (Source: UVA Economics; Federico Ciliberto) Architecture The School of Architecture makes extensive use of modeling and simulation of many types and has upwards of 20 different commercial and open-source software for different areas of work. Attached are descriptions of a few recent activities in energy simulation in Architecture. ecoMOD The ecoMOD Project is focused on creating sustainable prefabricated housing in partnership with affordable housing organizations. To ensure appropriate passive design strategies are utilized and that the housing units can be as energy efficient as possible, the

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interdisciplinary design teams simulate natural light, energy use, and ventilation in 3-D computer models of the housing unit designs. After the units are occupied, teams also evaluate the performance of the buildings, and sometimes reassess the original simulation assumptions based on actual energy and thermal monitoring. Various computer simulation tools are used, and physical models are used to assess natural light.

(John Quale and Eric Field, Architecture; Paxton Marshall, Electrical Engineering, students in both Architecture and Engineering)

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BLAST Spray Booth, 2010-11 The goal of the BLAST spray booth is to design and construct a small, contained working area for architecture students to spray paint and perform related spraying activities, and to ventilate and exhaust fumes without using electricity or other energy-grid consumptive mechanical means. Instead the spray booth relies completely on passive ventilation through the stack effect driven by the use of solar hot water collection systems and mounted photovoltaic panels. The spray booth provides not only a working utility for students, but also a functional prototype and teachable case study of naturally driven ventilation for larger structures and buildings. Computational Fluid Dynamics (CFD) simulations are used to study the booths performance and ventilation patterns.

(William Sherman, Eric Field, and students, Architecture) Passive Methods for Achieving Human Comfort in Buildings and Cities (a series of studies from Energy Performance Workshop course, Sp. 2011) The concept of passive first for managing thermal comfort and energy use in buildings is a long-standing practice in many cultures, but one which is not in common use in the U.S. currently. Rather than building large mechanical systems to heat and cool buildings, passive-first approaches begin by harnessing climate, solar orientation, tree shading, materials, operable windows, a buildings shape and even clothing practices to significantly reduce a buildings energy consumption and the financial and environmental costs that come from this. The following studies use various whole-building thermal simulation as well as computational fluid dynamics simulation tools to study these parameters in architecture and urban environments.

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Micro-climate fluid dynamics simulations of an urban outdoor space in Atlanta, GA, showing the heat effects of asphalt paving and the urban heat-island effect. (Sarah Turner)

3D fluid dynamics simulations - Testing urban wind patterns in Washington, D.C. (Giancarlo Mangone, from M.Arch Thesis, 2009)

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3D fluid dynamics simulations - Achieving comfortable temperatures through natural ventilation and clothing. (Whitney Paul)

Testing passive air movement against ASHRAE and research on adaptive comfort standards. (Amanda Swanekamp, Eric Field and students, Architecture)

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RAPPAHANNOCK COMMUNITY COLLEGE ADN Simulations Simulation is fully integrated throughout all three (3) medical-surgical nursing courses in the ADN program at RCC. All students participate in a two (2) hour campus lab each week focusing on topics/skills addressed in the lecture portions of the courses. Some scenarios are skill based utilizing low fidelity simulators, such as phlebotomy arms; however, most utilize moderate or high fidelity mannequins (VitalSim or SimMan) or student actors to fill the patient, family or interdisciplinary team member roles. Students prepare for these scenarios as they would prepare for their clinical rotations. They perform all assessments and pertinent interventions required to care for the patient including wound care, medication administration, contacting the physician, etc. All scenarios contain abnormal findings that require the student to intervene and the patient either improves or worsens dependent upon the student actions. Student feedback regarding the weekly simulations has been very good. Students were posed with the question, Can you describe a specific campus lab simulation that provided an ah-ha moment for you? The following were some of their responses: 1. Simulations utilizing the SimMan including different lung and heart sounds were extremely helpful. The repetition made recognizing these sounds in the clinical setting much easier. I cared for a patient with acute heart failure and recognized immediately the crackles in her lungs which explained why her oxygen saturation was low and led to her receiving an additional dose of diuretic to pull off the extra fluid. 2. We had a simulation regarding the care of a client having seizures. We were required to recognize the type of seizure, implement safety measures, and provide medication therapy. This was extremely helpful, as later in the semester we cared for a client who had a seizure in clinical and it was almost automatic what exactly we needed to do for the client in the clinical setting! 3. I enjoyed participating in the simulations because I always left understanding more than what I could have read in the book. For example, one of the simulations involved a patient with a water seal chest tube that was hooked to suction. I was already taught in class the use of a chest tube, and I reviewed the picture in the book explaining the chambers. Overall, I thought I understood chest tubes. The lab put all the facts from the book into one complete picture. From seeing the positioning of the patient, and where the chest tube was inserted to the suction chamber versus the collection chamber. We were required to perform the pertinent assessments and what each of them meant. During the scenario the chest tube became dislodged and we had to apply occlusive Vaseline gauze immediately, monitor the patient for tolerance and notify the practitioner. I now feel comfortable with chest tubes, and I get the questions correct on the practice NCLEX questions and can actually picture myself performing these assessments and implementations from physically seeing and assessing the patient with a chest tube in the simulation. 4. The simulation regarding the patient with the chest pain was by far the most illuminating for me. Though I didnt provide care for a patient in the clinical setting 90

with an MI during school, this simulation really pulled together the EKG changes as they were displayed on the SimMans monitor and I could see the vital sign changes and the patients change in condition as the EKG changed. As I prepare to take the NCLEX when I come across practice questions regarding this I can still picture the EKG changes and I can picture the lab results and medications we provided for the patient experiencing chest pain! 5. When we reviewed the various types of gastric tubes, it was hard for me to recall the different nursing interventions for patients who have the tube in order to get tube feeding and those who have it in order to suction their gastric secretions. I had a patient this semester who had a nasogastric tube to low intermittent suction and the patient complained of nausea. It was easy for me to remember what we did in the simulation when the patient began to vomit. I knew that I needed to check to make sure the suction was working properly on the wall and that the tube was in the correct place and patent. After determining the suction was working and the tube was in the right place we irrigated the tube and the patients nausea subsided! It felt great to feel like I actually knew how to do something to fix a patient!

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VIRGINIA TECH Office of the Vice President for Research Virginia Tech Transportation Institute Commercial Training and Prototyping Simulator in the Center for Truck and Bus Safety Point of contact: Dr. Tom Dingus, Director, VTTI The Virginia Tech Transportation Institutes Commercial Training and Prototyping Simulator is based on a FAAC full-mission truck driving simulator. This simulator was used in the first objective examination of different methods of training novice truck drivers in the United States; this study is cited in a current notice of proposed rulemaking posted by the United States Department of Transportation (Docket FMSA-2007-27748). In addition to examining training issues, this simulator allows for rapid evaluation of driving and driver assistance technologies under both normal and extreme conditions. Force and Moment Tire Modeling Point of contact: Dr. Tom Dingus, Director, VTTI The National Tire Research Center, located in Danville, VA, will provide force and moment tire in the non linear range. The capability of the NTRC will enable a level of simulations and vehicle dynamics modeling which is not available today anywhere. Simulations using the data from the NTRC will provide the transportation industry with tools to improve safety, energy loss and performance at the vehicle and the component level. Agent-based Models in Transportation Research The Center for Sustainable Mobility (CSM) at the Virginia Tech Transportation Institute (VTTI) is currently involved in a number of modeling activities that are briefly highlighted in this document. CSM has been conducting research in the area of agent-based transportation modeling for the past decade. Agent-based models (ABMs) (also known as multi-agent simulation models) are a class of computational models for simulating the actions and interactions of autonomous agents. It combines elements of game theory, complex systems, emergence, computational sociology, multi-agent systems, and evolutionary programming. The models simulate the simultaneous operations and interactions of multiple agents, in an attempt to re-create and predict the behavior of complex phenomena. The process is one of emergence from the lower (micro) level of systems to a higher (macro) level. Individual agents are typically characterized as boundedly rational, presumed to be acting in what they perceive as their own interests using heuristics or simple decision-making rules. ABM agents may experience learning and adaptation. CSM has developed its own agent-based transportation modeling tool entitled INTEGRATION, which serves as the nucleus for the various modeling studies conducted at the center. Modeling Inclement Weather Impacts on Driver Longitudinal and Gap Acceptance Behavior Point of contact: Dr. Hesham Rakha, Director, Director of the Center for Sustainable Mobility, Virginia Tech Transportation Institute (VTTI) Inclement weather is one of the key causes of congestion because drivers typically attempt to drive at lower speeds with increased caution. Additionally, inclement weather 92

contributes to more than 1.5 million crashes every year. This FHWA-sponsored project characterizes driver car-following behavior while driving on icy roadway conditions using field-measured car-following data and quantifies the typical variability in driver behavior. In addition the study studys the impact of rain and snow on driver gap acceptance behavior for left turners making a permissive left turn at a signalized intersection. The models that are developed are incorporated in state-of-the-art microscopic traffic modeling tools. Modeling Driver Route Behavior Point of contact: Dr. Hesham Rakha, Director, Director of the Center for Sustainable Mobility, Virginia Tech Transportation Institute (VTTI) Within the context of transportation modeling, driver route selection behavior is typically captured using mathematical programming. These approaches assume that drivers have full knowledge of the transportation network state in attempting to minimize some objective function. Typically, drivers are assumed to either minimize their travel time (user equilibrium) or minimize the total system travel time (system optimum). Given the dynamic and stochastic nature of the transportation system, the assumption of a drivers perfect knowledge is at best questionable. Consequently, there is a need to develop novice approaches for the modeling of driver route choice behavior. Unlike most route choice research that is primarily focused on the conscious part of the route selection task, this research effort explores the subconscious nature of route selection. It is well documented in human psychological behavior that humans tend to minimize their cognitive efforts, and follow simple heuristics to reach their decisions, especially under uncertainty and time constraints. The project tasks include: 1. Conduct a simulation study of driver route choice behavior. 2. Conduct an in-field study of driver route choice behavior. 3. Develop a behavioral route choice model. 4. Analyze typical driver route choice behavior using naturalistic data. Modeling Travel Time Reliability Point of contact: Dr. Hesham Rakha, Director, Director of the Center for Sustainable Mobility, Virginia Tech Transportation Institute (VTTI) The objectives of this Academies of Science sponsored project are: 1. Develop a novel multi-stage model for travel time reliability evaluation and reporting. 2. Construct a simulation test bed along a section of I-66 to investigate the impact of different factors on travel time reliability. 3. Construct a database of field loop detector and incident data for the same I-66 study section. 4. Develop a multi-stage model to quantify the impact of incidents on travel time reliability using the field and simulation test bed. 5. Develop algorithms to use vehicle probe data to estimate dynamic roadway travel times.

Developing and Modeling Eco-Routing Strategies Point of contact: Dr. Hesham Rakha, Director, Director of the Center for Sustainable Mobility, Virginia Tech Transportation Institute (VTTI) Dynamic traffic routing is defined as the process of dynamically selecting the sequence of roadway segments from a trip origin to a trip destination. Dynamic routing typically entails using time-dependent roadway travel times to compute this sequence of roadway segments. This project combines energy and emission models with navigation programs. 93

The idea is to help consumers make "greener" choices about their routes. For example, an earlier study by Center for Sustainable Mobility (CSM) found that choosing an artery-based route that takes about five minutes longer than a highway-based route reduced fuel usage by 23 percent (it was shorter and had slower speeds). Over the past year, that would have amounted to almost $300 in savings for a commuter. The project has developed an agentbased eco-routing framework to test network-wide impacts of alternative routing strategies. The project tasks include: 1. Incorporate energy and emissions within current routing algorithms. 2. Investigate the impact of such routing strategies using sample networks assuming perfect knowledge of system performance. 3. Quantify the minimum number of probe vehicles required for successful implementation of the algorithms. 4. Evaluate the routing strategies associated with different vehicle types. Developing and Modeling Alternative Eco-Driving Strategies Point of contact: Dr. Hesham Rakha, Director, Director of the Center for Sustainable Mobility, Virginia Tech Transportation Institute (VTTI) Numerous variables influence vehicle energy and emission levels. Several research efforts have studied that the impact of aggressive driving on fuel consumption and emission rates. One study from Sierra Research found that aggressive driving is responsible for 15 and 14 times higher CO and HC emissions for the same trip. The ARTA drive cycle demonstrates that CO emissions vary considerably as a function of the vehicle speed and acceleration levels. The cycle demonstrates that 1%, 5%, and 10% of the total trip (7, 37, and 74 seconds of 735 seconds) contributes 14%, 34%, and 49% of the total CO emissions on average and as much as 53%, 76%, and 82% of total CO emissions. These small portions of a trip are caused by high engine-load conditions. Consequently, a reduction of highemitting driving behavior can significantly improve air quality. This NAVTEQ-sponsored project focuses on developing fuel consumption and CO2 emission models that can be calibrated using publically available EPA fuel economy data and the development of predictive eco-cruise control algorithms that use road topography to determine the optimum gas pedal and gear position. These models will be incorporated in traffic modeling software to study the interaction of these vehicles with regular traffic. Virginia Bioinformatics Institute (VBI) Policy Informatics and Infectious Disease Prediction Models Point of contact: Dr. Chris Barrett, Network Dynamics and Simulation Science Laboratory (NDSSL), VBI NDSSL has more than 30 full time employees and approximately 30 students. It is supported by several government agencies, DTRA and NIH/NIAID, being the major sponsors of this discipline called Policy Informatics. Annual external agency support is approximately $ 5.6 million per year. NDSSL has several programs that impact Americas quality of life, health and security, from an international civilian and military preparedness standpoint. Using global-scale, accurate agent-based prediction models running on a host of High Performance Computers (locally and on the US cloud), they are able to test national emergency scenarios, for which impact and response cannot be addressed in any other way. For example, in one program they simulate infections, be they the annual flu or a possible bioweapon attack, and from these simulations they have been able to make concrete suggestions as to what we should

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do to best prepare for and react to an epidemic or pandemic vaccine stockpile quantities and deployment, shut down of schools/factories/airports/borders, etc. in the event of incident. This information is supplied to the government in the form of white papers and reports to the White House, DoD, NIH, CDC, etc. as part of their contributions to this national effort. In May 2011, researchers at the Virginia Bioinformatics Institute at Virginia Tech who are addressing disease epidemics, infrastructure failure, and other disasters have received a boost in the form of long-term support from the Defense Threat Reduction Agency. Chris Barrett and colleagues in the Network Dynamics and Simulation Science Laboratory have developed a comprehensive national incident management system that uses informatics technologies to model the complex interactions within and between issues like disease epidemics, planning and policy-making decisions, and transportation systems. The incident management system will allow users to represent and understand 10s and 100s of millions of individual interactions simultaneously in unprecedented detail. The five-year, sole source contract from the defense agency will support continued development of the incident management system to provide agency analysts with decision-making resources. Institute for Critical Technology and Applied Science (ICTAS) Computational Modeling and Simulation research activities of faculty associated with the ICTAS are vigorous and quite diverse. Using powerful, state-of-the-art, parallel supercomputer systems available to Virginia Tech researchers, these cutting-edge M&S programs address fundamental and applied topics ranging from computational biology probing the intracellular mechanisms of cell division and metabolic pathways, to atomistic simulation of nano-scale defects in advanced materials under load, to particle transport in nuclear energy and national security, to physics-based models of new spacecraft propulsion systems. Representative M&S assets of ICTAS affiliated researchers are provided here. Computational Bioinformatics and Bioimaging Point of contact: Yue (Joseph) Wang, Bradley Department of Electrical and Computer Engineering Dr. Wang uses intelligent computing, machine learning, pattern recognition, statistical visualization, and advanced imaging and image analysis, with applications to computational bioinformatics and bioimaging. These M&S activities provide a means to model and reconstruct molecular regulatory and signaling pathway networks associated with biomedically-relevant biological processes. Mechanical Properties of Materials Point of contact: Dr. Diana Farkas, Department of Materials Science and Engineering Dr. Farkas utilizes the advanced capabilities of the Virginia Tech System X supercomputer to constructs atomistic model and simulations of strain-induced grain growth in nanocrystalline and nanoporous metals to gain computational insight into the defect and interfacial aspects associated with mechanical properties of technologically-important materials. Simulations of Molecular Mechanics and Molecular Dynamics Point of contact: Dr. Romesh C. Batra, Department of Engineering Science and Mechanics 95

Dr. Batra develops multiscale analyses of multiphysics problems involving material and geometric nonlinearities, nanomechanics, and dynamic failure under shock loads in smart structures and functionally graded materials. These molecular mechanics and molecular dynamics simulations span material systems and fields ranging from polymeric nanocomposites and metal alloys to biomechanics. Alireza Haghighat, Department of Mechanical Engineering is recognized internationally for his research in particle transport methods and their applications in the simulation of nuclear systems, parallel computing for nuclear applications, Monte Carlo methods, reactor physics, perturbation techniques, design of nondestructive interrogation systems for homeland security applications, simulation of nuclear reactors, radiation systems, and medical devices. Within the ICTAS supported center, Space@VT, an interdisciplinary team of faculty members conduct a vigorous research program studying spacecraft environmental interactions and advanced spacecraft propulsion systems utilizing physics based models and advanced computational techniques. Using a combination of fundamental studies of large-scale simulations (on parallel supercomputers) with experimental results at sponsors sites, the modeling results are refined and validated with ground test/in-flight data. Systems Biology for Engineered Tissues Point of contact: Dr. T. M. Murali, co-Director, ICTAS Center for Systems Biology for Engineered Tissues, Department of Computer Science The Center for Systems Biology for Engineered Tissues is defining a synthesis between tissue engineering and systems biology. Systems biology approaches underlie predictive computational models of engineered tissues and drive novel experimental analysis of engineered tissues, while the demands of tissue engineering inspire new methodologies and analysis frameworks in systems biology. Dr. Murali's current research project fuses top-down and bottom-up systems biology approaches used to study complex cellular systems into a single framework. Data-driven analysis augments models that can be simulated, yielding a system for hypothesis generation, testing, and validation. These approaches are applied to the mechanism of cell division and cellular systems involved in the development of cancer and in infectious diseases. For more information: ISBET, http://www.isbet.ictas.vt.edu/ Performance Optimization of Wind Turbines Point of contact: Dr. Muhammad R. Hajj, Professor, Department of Engineering Science and Mechanics Wind turbines are usually subjected to varying loads and must survive harsh operating conditions in a wide range of environments and over extended periods. Variations of the loads and the interaction among structural and material properties, and control systems induce constant sources of risks that must be evaluated and addressed. In this effort, we are developing a mathematically rigorous approach for modeling and simulation aerodynamic loads on the blades and their response. This analysis is expected to lead to better performance through optimization and control and risk reduction in the operation of the wind turbines.

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Virginia Tech Carilion Research Institute (VTCRI) Human Neuroimaging Laboratory and the Computational Psychiatry Unit Point of contact: Dr. Read Montague, Director, VTCRI. Dr. Montagues work centers broadly on human social cognition, decision-making, and willful choice with a goal of understanding the detailed underlying neurobiology of these functions in health and disease. Dr. Montagues work particularly focuses on computational neuroscience the connection between physical mechanisms present in real neural tissue and the computational functions that these mechanisms embody. His laboratory uses theoretical, computational, and experimental approaches to these issues. In particular, the group now employs novel approaches to functional neuroimaging, new biomarkers for mental disease, spectroscopy, real-time voltammetery, and computational modeling and simulations. Dr. Montague also directs the Roanoke Brain Study (RBS), a project aimed at understanding decision-making through the lifespan and its relationship to brain development, function, and disease. Virginia Tech Visionarium 3D Blacksburg collaborative is inventing a virtual city model for the future Point of contact: Peter Sforza, Director and Research Scientist, Center for Geospatial Information Technology What if city officials could plan new infrastructure for a community in a computergenerated three-dimensional environment? What if entrepreneurs could conduct research in a virtual marketplace? What if researchers, students, experts, and government officials could collaborate on a project within a unified virtual environment? Virginia Techs Center for Geospatial Information Technology is leading an innovative mapping project to create a comprehensive three-dimensional model of the town of Blacksburg, Va. The virtual model, known simply as "3D Blacksburg, will include topography, aerial photography, and buildings in a 3-D environment that can be used to visualize related spatial information such as building interiors, utilities, and networks. Peter Sforza, the centers director and the project coordinator, said 3D Blacksburg is being designed with three groups in mind: town operations administrators, the general public, and research institutions. For more information: http://www.vt.edu/spotlight/innovation/2011-03-28-3d/3dblacksburg.html College of Engineering Modeling and Simulation at Wireless@VT Point of Contact: Dr. Jeffrey Reed, Director, Wireless@VT Modeling and simulation methodologies are fundamental tools that are used in most research efforts at Wireless@VT. However, modeling and simulation are research activities in their own right, and projects with both industry and government have been granted to Wireless@VT for the purpose of developing modeling and simulation methodologies. In addition, in the important area of software radios the boundary between the simulation of the radio and the hardware that implements the radio is blurred since the simulation of the radio, when downloaded to the appropriate chip sets, becomes the radio. 97

Wireless Social Networks Point of Contact: Dr. Jeffrey Reed, Director, Wireless@VT We are witnessing a silent revolution in the world of technology, wherein digital devices are touching all aspects of our societies. From smart phones that are as powerful computers just a few years back, to miniature sensors that are as small as speck of dust that can be used to measure interesting real world and societal phenomenon. Digital devices, by meaningful measurements and interaction with the end users, will provide context rich information and services. Wireless networks will become more connected to the social networks of users to whom they provide services. The technical approach for studying coevolving wireless social networks comprises of the following inter-related components: o A first principles modeling approach for user and device mobility in large urban regions, which produces realistic activity based traffic patterns. This kind of mobility model naturally incorporates user behavior at a very detailed level; o A first principles modeling approach for generating user demand, o Combining the above with data driven approaches and theories of social behaviors for generation, and dynamical analysis of synthetic co-evolving wireless social networks --- note that these networks cannot be constructed by simple measurements. Our approach can enable approximations of the real system state with varying levels of accuracy. For more information: http://www.wireless.vt.edu/ MRPerf Tool for Cloud Computing Point of contact: Dr. Ali R. Butt, Department of Computer Science Dr. Butt has adopted an innovative simulation approach to evaluating the design and architecture of emerging Cloud Computing setups. The cloud is enabled by computer systems that require tuning of thousands of parameters and configurations to obtain optimal performance. This research captures such parameters to create a flexible tool, MRPerf, which researchers and IT practitioners can use to realize customized clouds and to perform capacity planning for new systems. This research has the potential to impact cloud systems and users in a profound way. Modeling and Simulation of Multiscale and Multiphysics Phenomena Point of contact: Dr. Romesh C. Batra, Clifton C. Garvin Professor, Department of Engineering Science and Mechanics Modeling and simulation activities include building mathematical and robust and verified computational models of axial buckling of multi-walled carbon nanotubes, pull-in instabilities in micro-electro-mechanical plates, interface failure in particulate composites under impact loads, water slamming, and damage initiation and propagation in composites exposed to underwater explosive loads. Innovations include simulation of the buckling phenomenon at the nano-level, failure at interfaces, damage to human inner organs, and rupture of buried concrete bunkers. Examples of problems studied are illustrated below.

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Effects Of Magnetic Nanoparticle Properties on Magnetic Fluid Hyperthermia Point of contact: Dr. Ishwar K. Puri, N. Waldo Harrison Professor and Department Head, Department of Engineering Science and Mechanics Current cancer treatments, such as surgery and chemotherapy, can have undesirable side effects, including harm to the surrounding healthy tissue. Hyperthermia is an alternative treatment that can destroy cancerous cells by significantly elevating the temperature of tumor cells while keeping that of the surrounding healthy tissue at a reasonable level. One method to induce hyperthermia is by use of ferrofluids, which are colloidal suspensions of magnetic nanoparticles in a nonpolar medium, to produce magnetic fluid hyperthermia (MFH). Our simulations identify materials that are viable MFH candidates, i.e., one that can produce significant heating at the tumor center yet maintain the surrounding healthy tissue interface at a relatively safe temperature. Long Term Heat Storage Through Sustainable Thermochemical Energy Conversion: Simulations of the Structure of Aqueous MgSO4 Solution Point of contact: Dr. Ishwar K. Puri, N. Waldo Harrison Professor and Department Head, Department of Engineering Science and Mechanics The heat supplied to dehydrate salt hydrates (like magnesium sulfate heptahydrate MgSO4.7H2O) accumulates in the anhydrous salt once the coordinated water molecules are released. This form of thermochemical energy conversion can be used, for instance, for long-term thermal storage. The capability of aqueous ionic salt solutions to store thermochemical energy depends upon their solvation characteristics. We address some critical issues during energy conversion by simulating the molecular level changes in an aqueous MgSO4 solution as its concentration is varied. Tuning Heat Management in Nanomaterials to Create Novel Thermoelectric Materials for Sustainable Energy Applications Point of contact: Dr. Ishwar K. Puri, N. Waldo Harrison Professor and Department Head, Department of Engineering Science and Mechanics There is a growing interest in fabricating materials for sustainable energy applications that have a high thermoelectric efficiency at room temperature, e.g., to generate electricity from waste heat. The thermoelectric properties of a material can be improved by suitably tailoring its structure at the nanometer scale. We investigate the influence of atomic disorder, e.g., through isotope substitution, on the thermal conductivity of carbon nanotubes. Designing Novel Biomaterials by Simulating the Elastomechanical Properties of Resilin Point of contact: Dr. Ishwar K. Puri, N. Waldo Harrison Professor and Department Head, Department of Engineering Science and Mechanics Our objective is to create pathways for future formulations of novel bioinspired rubbers that will have a lower stiffness and much higher resilience than currently manufactured materials. Of various target proteins, we focus on resilin, which is found in insect cuticles, since its long fatigue-lifetime and resilience are even higher than for polybutadiene. Molecular dynamics simulations show how a bioinspired rubber material with an enhanced ability to stretch and recover can be fabricated.

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Mathematical Modeling and Simulation Tools for Design of Micro-Air Vehicles Point of contact: Dr. Muhammad R. Hajj, Department of Engineering Science and Mechanics Modeling and simulation of biological systems is important for the design of bio-inspired systems. In this work, we simulate the flow over morphing wings to understand the relation between morphing, aerodynamic loads and flight efficiency. The figure shows a flight path that would be most efficiently used by a micro air vehicle. Sponsor: Air Force Research Laboratories, Wright Patterson Modeling of signal transduction pathways in plants Point of contact: Dr. Lenwood Heath, Department of Computer Science The Beacon project aims to represent digitally the signal transduction pathways in plants that are plant cell initial responders to environmental conditions. We will model pathways as networks in a graphical language called Systems Biology Graphical Notation. Once captured, a pathway can be simulated computationally in several modes, including binary and multilevel logic modes. We also are developing an inference engine to discover new network connections from high-throughput biological data sets. Fluid Dynamics Simulations of Boeing DiscRotor Aircraft Point of contact: Dr. Saad Ragab, Department of Engineering Science and Mechanics A novel concept for a vertical takeoff and landing aircraft has been designed by Boeing (Philadelphia) and funded by DARPA. Retraction of rotor blades within a disc is an innovative concept that allows the aircraft to cruise at speeds higher than conventional helicopters. At Virginia Tech, computer simulations have been conducted to establish the feasibility of the new design. State-of-the art computer software developed by NASA is used. The simulations proved very useful in understanding the flowfield around this unconventional aircraft configuration, and helped improve the design of the DiscRotor aircraft. Hover analysis of disc and four-bladed rotor provided thrust and power requirements, and wake structure. Multiphase Simulations of Mineral Flotation Machines Point of contact: Dr. Saad Ragab, Department of Engineering Science and Mechanics Mineral recovery from ores consumes considerable energy. Innovative designs of flotation processes and machines are required to improve recovery rates and reduce energy consumption. The flow in mineral recovery machines involves the interactions of a turbulent liquid carrier, solid particles, and gas bubbles. The high fidelity of simulations and modeling tools developed will provide breakthroughs in minerals separation technology. College of Science Modeling of Genome Copying-Collating Steps During Cell Division Point of contact: Dr. John Tyson, University Distinguished Professor Biological Sciences Dr. Tysons work advances the state of the art for modeling in Systems Biology using cutting edge technology for mathematical simulations and parameter estimation to aid computational biologists probe the precise details of cell division and other physiological processes. These investigations focus on biological systems from a rigorous mathematical

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perspective, to build realistic models that provide a deeper understanding of the complex physiology. Researchers from Virginia Tech and Oxford University have proposed a novel molecular mechanism for the living cell's remarkable ability to detect the alignment of replicated chromosomes on the mitotic spindle in the final phase of the cell division cycle. This checkpoint mechanism prevents mistakes in the cell division process that could damage dividing cells and the organism they inhabit. John Tyson, University Distinguished Professor of Biological Sciences in the College of Science at Virginia Tech, and Bela Novak, professor of integrative systems biology at Oxford University, have been using mathematical models for many years to study the checkpoints that regulate irreversible progression through the cell cycle. Their latest modeling effort, on the chromosome alignment checkpoint, is published in the online early edition of the Proceedings of the National Academy of Sciences (PNAS) the week of May 23 in the article, "System-level feedbacks make the anaphase switch irreversible," with coauthors Enuo He and Orsolya Kapuy of the Centre for Integrative Systems Biology at the University of Oxford; Raquel A. Oliveira of the Department of Biochemistry, University of Oxford; and Frank Uhlmann of the Chromosome Segregation Laboratory, Cancer Research UK, London. The article provides theoretical and experimental evidence that bistability of the checkpoint machinery ensures irreversibility of the metaphase-anaphase transition. For more information about this project: http://www.vtnews.vt.edu/articles/2011/05/052511-research-johntysonpnas.html College of Natural Resources and Environment Uncertainty assessment for biological carbon sequestration Point of contact: Stephen P. Prisley, Associate Professor Forest Resources & Environmental Conservation The US Geological Survey is tasked to develop and implement a methodology to assess biological carbon sequestration (e.g., in forests, agriculture, soils, and aquatic systems) across the United States, with projections under varying climate scenarios to 2050 (http://www.usgs.gov/global_change/carbon/). As part of this project, we are employing simulation approaches to assess the uncertainty in this complex analysis approach that uses multiple diverse data sources over large geographic areas. Simulation of smoke management guidelines for prescribed burning of forests Point of contact: Stephen P. Prisley, Associate Professor Forest Resources & Environmental Conservation Prescribed burning of forests is an important management tool for achieving desired results and conditions in the forests of Virginia. It is critical for reducing the risk of wildfire, maintaining desired vegetation conditions, and enhancing habitat for certain species of plants and animals. However, prescribed burning produces smoke that can have adverse consequences for sensitive individuals. We are using a US Forest Service smoke plume model to predict downwind concentrations of smoke in order to assess risks under a variety of regulatory scenarios, and to evaluate the extent of land areas excluded from prescribed burning. Model results will assist managers and policymakers in creating a regulatory environment that protects public health and safety while enabling the use of this important management tool.

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Modeling pinyon-juniper forest distribution in Nevada Point of contact: Stephen P. Prisley, Associate Professor Forest Resources & Environmental Conservation Pinyon-juniper is the predominant forest type across much of the southwest, including the state of Nevada. We are collaborating with the US Forest Service and the US Bureau of Land Management to model the historical and current distribution of this forest type based on soils and topography. Historical forest information has been collected from survey records from the late 19th century, enabling comparison of current and historical distributions of forest. Model results will assist managers seeking to restore presettlement conditions of forest distribution.

Forest Modeling Research Cooperative Point of contact: Dr. Harold E. Burkhart, University Distinguished Professor The mission of the Forest Modeling Research Cooperative (FMRC) is to develop tree growth and stand development models that advance the science of forest modeling and provide land managers with decision support capabilities needed to practice economically viable and environmentally sustainable forest management. Faculty and students associated with the FMRC work with the forest products industry and federal and state agencies on a wide range of research projects to develop improved growth and yield models for intensively managed forests. Development of forest stand prediction and projection systems and incorporation of these systems into decision support tools comprises a significant part of the work of the Coop. These decision support tools help managers make efficient use of available resources including land, genetic material, and fertilizers to grow wood and provide environmental services to meet the diverse needs of society. For more information, please visit: http://www.frec.vt.edu/ForestModelingResearchCooperative Simulating consumer response to mass customized products Point of contact: Dr. Urs Buehlmann, Associate Professor, Wood Science and Forest Products This initiative is a collaborative project with FPInnovations, Canada, University Laval, Canada, and Virginia Tech. The simulation answers questions about consumer preferences in respect to to customizable attributes of furniture. Using data obtain from a large consumer survey (1,200 answers), a conjoint simulation model was created allowing manufacturers to simulate particular product configurations (mass customized) and measure the impact on consumer response. Optimum lumber yield simulation Point of contact: Dr. Urs Buehlmann, Associate Professor, Wood Science and Forest Products This initiative is a collaborative project with the USDA-Forest Service. Producing solid wood parts from lumber is a unique manufacturing step unknown in other industries. Lumber boards must be cut in such a way as to obtain all the parts needed while maximizing yield. The process is complicated because lumber is a heterogeneous raw material with varying sizes and unusable areas spread throughout the boards. Since the problem cannot be 102

solved mathematically, the optimum lumber yield simulation program simulates possible solutions to the cut-up problem until an optimal or near-optimal solution has been found. LEAN Simulation Point of contact: Dr. Urs Buehlmann, Associate Professor, Wood Science and Forest Products The Lean@Virginia Tech team has created two real-world, hands-on simulations to demonstrate the power of Lean to industry participants. One simulates the differences between batch production (traditional mass production) and one-piece flow (Lean environment) in a manufacturing setting, while the second one simulates the benefits of using Lean principles in an administrative environment. Fish and Wildlife Conservation Modeling and simulation are applied frequently for management of fisheries and wildlife populations. For example, we may be interested in estimating the harvestable excess for a fished or hunted population, or we may be concerned with quantifying the demographic viability of a threatened or endangered species. Among the investigators and projects recently completed or ongoing are included below. Fishery Stock Management Point of contact: Dr. Jim Berkson, Associate Professor, Department of Fisheries and Wildlife Sciences Dr. Berkson is a population demographic modeler focusing upon fished populations in the Atlantic Ocean and Gulf of Mexico. Fisheries management is subject to several sources of uncertainty, including estimation of the abundance of a focal species, estimation of harvest, modeling of demographic processes, and anticipation of the effects of alternative fishery management regimes. Among recent projects, he and his students conducted a simulation study of the effects of alternative length estimators on management of U.S. Caribbean fisheries. They assessed the effects of incorporating scientific uncertainty into marine stock assessment, focusing on an evaluation of alternative fishery management strategies. An ongoing project is evaluating the effects of tropical cyclones on fisheries and fish stocks in the southeastern United States. Fishery Stock Management Point of contact: Dr. Yan Jiao, Assistant Professor, Department of Fisheries and Wildlife Sciences Dr. Jiao is a fisheries population modeler with notable expertise in application of Bayesian approaches and evaluation of uncertainty. Recent projects undertaken by her group include modeling of the evolutionary effects of fishing and their implications for fishery stock management. She and her students have modeled the spatial and temporal dynamics of Lake Erie yellow perch fisheries, as well as the ecosystem-level effects of bycatch of non-target species. Ongoing projects include Bayesian population dynamics modeling to guide population restoration and recovery of endangered mussels in the Clinch and Powell rivers in Tennessee and Virginia and development of population dynamics models for the critically endangered white abalone.

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Predictive Models of Wildlife Population Trends Point of contact: Dr. Marcella Kelly, Associate Professor Dr. Kelly models wildlife population dynamics focusing upon parameter estimation (e.g. population size, survival, and recruitment) and population viability analysis (PVA). Following the collection of demographic data, she predicts wildlife population trends into the future, which can produce surprising results and redefine management strategies. For example, her PVA work on Serengeti cheetahs revealed that an increase in the local lion population created the largest threat to cheetah viability because lions kill cheetah cubs. Using new and evolving techniques and analyses to obtain demographic information, she has determined population densities of ocelots in Belize, leopards in Tanzania, and white-tailed deer in the Piedmont of Virginia. Pamplin College of Business Fuzzy-control models of service-systems Point of contact: Dr. Ralph Badinelli, Department of Business Information Technology This research responds to the challenge of endemic ambiguity and vagueness in the interactions of clients and providers in a service system by providing robust and flexible models that can be applied to the design and management of service systems. The research develops conceptual models of client epistemology and decision-making in service engagements through the use of fuzzy variables and fuzzy relations. Motivating examples include, but are not limited to, service in education, consulting, health care, government services, knowledge-intensive business services and on-line intelligent services. Theoretical results and simulation studies illustrate the sensitivity of agent decisions to the forms of service engagements, and prescriptions for service design and management are derived. Helping a Small Development Organization Manage Volunteers More Efficiently Point of contact: Dr. Cliff Ragsdale, Bank of America Professor, Department of Business Information Technology This study, we discuss the development of a spreadsheet-based multi-criteria volunteer scheduling model for a small development oriented organization in a South American developing country. We demonstrate not only how the proposed model helps to reduce the number of unfilled shifts and decrease total scheduling costs, but also how it helps to better satisfy the volunteers scheduling preferences, thus supporting long-term retention and effectiveness of the workforce. Reference: Helping a Small Development Organization Manage Volunteers More Efficiently, accepted for publication in INTERFACES, May 2010. Authors: Mauro Falasca, Christopher Zobel and Cliff Ragsdale. Efficient Modeling of Individual Consumer Preferences Point of contact: Dr. Cliff Ragsdale, Bank of America Professor, Department of Business Information Technology As business-to-consumer e-commerce matures, the need for better product purchasing and consumer-to-product alignment tools increases. User-driven searching, sorting and filtering are currently the most widely employed techniques for aligning consumers and products This process could be greatly improved if it was possible to quickly and easily capture and 104

model individual consumer preferences for particular product attributes. In this paper, preferences are elicited using a survey instrument, preference models of individual participants are constructed using conjoint analysis and neural networks, and the prediction accuracy is measured. Reference: "Efficient Modeling of Individual Consumer Preferences: Facilitating AgentBased Online Markets," International Journal of Electronic Marketing & Retailing, Vol. 3, No 1, pp. 66-81, 2010. Authors: Frank LoPinto and Cliff Ragsdale. Mitigating Environmental and Density Risk in Global Sourcing Point of contact: Dr. Cliff Ragsdale, Bank of America Professor, Department of Business Information Technology Global sourcing has provided significant performance enhancements, but has put firms in a vulnerable position relative to the potential devastating effects of supply disruptions. The supply risks associated with these disruptions are particularly high for those firms operating in a lean environment. While supply managers are cognizant of the risks associated with global sourcing, there is only limited knowledge and tools available to allow them to mitigate these risks. We augment prior research through the development of a decision support model that allows for the mitigation of two key global risks, regional and spatial risk, when selecting suppliers for mission critical parts. Reference: "Mitigating Environmental and Density Risk in Global Sourcing," International Journal of Physical Distribution and Logistics Management, Vol. 39, No. 10, pp 861- 883, 2009. Authors: Jason Deane, Christopher Craighead and Cliff Ragsdale. Coordinating the Supply Chain to Cooperatively Reduce IT Security Risk Point of contact: Dr. Cliff Ragsdale, Bank of America Professor, Department of Business Information Technology Supply chain practices often put companies and their supply chains at risk. One of the most serious risks is disruptions. While many types of disruptions have been considered, little attention has been given to disruptions caused by information technology (IT) security incidents. We develop a generalizable mathematical model that quantifies ITsecurity risk in the supply chain. We then show how to find solutions for optimal risk reduction under several definitions of optimality: minimizing upstream risk, minimizing downstream risk, and minimizing global (supplychain) risk. Reference: "Coordinating the Supply Chain to Cooperatively Reduce IT Security Risk," Operations Research Management, Vol. 2, pp. 4-12, 2009. Authors: Jason Deane, Cliff Ragsdale, Terry Rakes and Loren Rees. Quality Inspection Scheduling for Multi-Unit Service Enterprises Point of contact: Dr. Cliff Ragsdale, Bank of America Professor, Department of Business Information Technology The traveling salesman problem is a classic NP-hard problem used to model many production and scheduling problems. The problem becomes even more difficult when additional salesmen are added to create a multiple traveling salesman problem (MTSP). We consider a variation of this problem where one salesman visits a given set of cities in a series of short trips. We model an actual franchised hotel chain using traveling quality inspectors to demonstrate the technique and solve the problem using a commercially available genetic algorithm (GA) tool as well as a custom GA program. 105

Reference: "Quality Inspection Scheduling for Multi-Unit Service Enterprises," European Journal of Operational Research, Vol. 194, No. 1, pp. 114-126, 2009. Authors: Arthur Carter and Cliff Ragsdale. The Ordered Cutting Stock Problem Point of contact: Dr. Cliff Ragsdale, Bank of America Professor, Department of Business Information Technology This paper identifies and discusses a new type of one-dimensional cutting stock problem (CSP), called the ordered CSP, which explicitly restricts to one the number of jobs in a production process that can be open, or in process, at any given point in time. Given the growing emphasis on mass customization in the manufacturing industry, this restriction can help lead to a reduction in both in-process inventory levels and material handling activities. A mathematical model is provided for the new CSP model, and its applicability is discussed with respect to a production problem in the custom door and window manufacturing industry. A genetic algorithm (GA) solution approach is then presented, which incorporates a customized heuristic for reducing scrap levels. Reference: The Ordered Cutting Stock Problem," Decision Sciences, Vol. 35, No. 1, pp. 8198, 2004. Authors: Cliff Ragsdale and Christopher Zobel. A Simulation Study of Capacity Planning and Resource Scheduling at the Woodrow Wilson Rehabilitation Center (WWRC) Point of contact: Dr. Roberta S. Russell, Professor, Department of Business Information Technology The Woodrow Wilson Rehabilitation Center is a state-owned and operated comprehensive rehabilitation center located in Fishersville, Virginia. The Center provides vocational training and medical interventions for people with disabilities to assist them in obtaining employment and in living more independently. WWRC serves over 2400 clients annually with an estimated capacity of 324 clients at any given time. The center anticipates an overall increase in requests for services due a growing population of veterans with neurological disabilities, elderly persons with Alzheimers, clients of all ages with Autism Spectrum Disorder, clients entering home communities from institutional settings, and persons with disabilities who are also obese, depressed or treated for substance abuse. This increased demand for services and diversity of client needs has the potential to create a backlog in the admissions process, an uneven use of resources and a decline in successful client outcomes. Currently Franklin Warren, a PhD student in Business Information Technology, under the direction of Professor Roberta Russell, is developing a simulation model of client flow and patient length of stay under alternative capacity planning scenarios and scheduling policies. The center will use this model to make more efficient resource allocation decisions for their changing mix of clients and client needs. College of Agriculture and Life Sciences Multi-scale modeling and simulation of socially coupled systems Point of contact: Dr. Achla Marathe, Department of Agricultural and Applied Economics Dr. Marathe studies systems pertaining to critical infrastructures like transportation, energy, and communication as well as public health. Current projects include SIGMA 106

(Simulation of Generic Markets), a web based modeling tool to study large commodity markets. Grape and apple disease risk assessment Point of contact: Debra Marple, A.H. Smith Agricultural and Research Extension Center in Winchester, VA This project focuses on development of a map-based grape and apple disease risk assessment system where several disease prediction models are used. The aim for the system is to use observed environmental conditions to assess the risk of disease development, and use weather forecast to predict risks in the near future. Currently, the project is in the stage of converting disease models into GIS module, creating an infrastructure for weather data collection and storage, and developing a web-interface. The weather data will be collected from local weather stations (VCE's mesonet and FAA stations), and the NOAA's weather observation model. The project team is planning to test run models this year to validate precision and accuracy of the models. Molecular Dynamics Point of contact: Dr. David Bevan, Department of Biochemistry Dr. Bevan and his research group conduct molecular modeling studies, including molecular dynamics simulations and docking procedures, on DNA, proteins, and potential drugs. Major areas of investigation include the contribution of protein misfolding and subsequent aggregation to neurodegenerative diseases such as Alzheimer's and Parkinson's and the determination of the physiological function of plant beta glucosidases. As one of the few molecular modelers on campus, Dr. Bevan actively collaborates with VT faculty and for many years has offered the only course on molecular modeling available to students. Agent based simulation models for land change Point of contact: Dr. Steve Hodges, Department of Crop, Soil and Environmental Sciences Dr. Hodges currently serves as PI or co-PI on several projects or proposals involving modeling and simulation. We are using both system dynamic simulation software (Stella, PowerSim), and cropping system software (APSIM, DSSAT), and exploring the future use of agent based simulations models for land change. One project, a $2.4 million, 5 year project funded by the NIFA Challenge Area in Food Security, is entitled "Enhancing Food Security By Cultivating Resilient Food Systems & Communities: Place-Based Foodshed Analysis From Research To Community Practice" . In this project, systems thinking, system dynamics models, and Operational Research (or Soft Systems Modeling) are used to develop both social and biophysical models of local food and regional food systems. This project also involves GIS-based models of soil-based agricultural productivity. This is a collaborative project with NC State and WVU.

Human Neuroimaging Laboratory and the Computational Psychiatry Unit

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Point of contact: Dr. Read Montague, Director, Virginia Tech Carilion Research Institute (VTCRI) Dr. Montagues work centers broadly on human social cognition, decision-making, and willful choice with a goal of understanding the detailed underlying neurobiology of these functions in health and disease. Dr. Montagues work particularly focuses on computational neuroscience the connection between physical mechanisms present in real neural tissue and the computational functions that these mechanisms embody. The group employs novel approaches to functional neuroimaging, new biomarkers for mental disease, spectroscopy, real-time voltammetery, and computational modeling and simulations.

National Incident Management System Point of contact: Dr. Chris Barrett, Network Dynamics and Simulation Science Laboratory (NDSSL), Virginia Bioinformatics Institute NDSSL has more than 30 full time employees and approximately 30 students. It is supported by several government agencies, DTRA and NIH/NIAID. Annual external agency support is approximately $ 5.6 million per year. Dr. Barrett and his colleagues at NDSSL have developed a comprehensive national incident management system that uses informatics technologies to model the complex interactions within and between issues like disease epidemics, planning and policy-making decisions, and transportation systems. A recently-announced five-year, sole source contract from the Defense Threat Reduction Agency (DTRA) will support continued development of the incident management system to provide agency analysts with decision-making resources. Agent-based Models in Transportation Research Point of contact: Dr. Hesham Rakha, Director, Director of the Center for Sustainable Mobility (CSM), Virginia Tech Transportation Institute (VTTI) CSM at VTTI has been conducting research in the area of agent-based transportation modeling for the past decade. Agent-based models (ABMs) are a class of computational models for simulating the actions and interactions of autonomous agents. CSM has developed its own agent-based transportation modeling tool entitled INTEGRATION, which serves as the nucleus for the various modeling studies conducted at the center, including: Modeling Inclement Weather Impacts on Driver Longitudinal and Gap Acceptance Behavior, Modeling Driver Route Behavior, Modeling Travel Time Reliability, and Developing and Modeling Eco-Routing Strategies. Computational Biology Point of contact: John J. Tyson, University Distinguished Professor, Department of Biology Dr. Tyson (VT) and Bela Novak, professor of integrative systems biology at Oxford University, have been using mathematical models for many years to study the checkpoints that regulate irreversible progression through the cell cycle. Their latest modeling effort, on the chromosome alignment checkpoint, is published in the online early edition of the Proceedings of the National Academy of Sciences (PNAS) the week of May 23 in the article, "System-level feedbacks make the anaphase switch irreversible," More information

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Modeling and Simulation at Wireless@VT Point of Contact: Dr. Jeffrey Reed, Director, Wireless@VT, Institute for Critical Technology and Applied Science (ICTAS) M&S methodologies are fundamental tools that are used in most research efforts at Wireless@VT. The important area of software radios the boundary between the simulation of the radio and the hardware that implements the radio is blurred since the simulation of the radio, when downloaded to the appropriate chip sets, becomes the radio. One of the largest university wireless research groups in the United States, Wireless @ Virginia Tech brings together more than 25 faculty members and more than 100 graduate students focused on wireless. Selected Simulation Tools Virginia Tech INTEGRATION TRAFFIC SIMULATION SOFTWARE The INTEGRATION software is a microscopic traffic assignment and simulation model which was developed over the past decade. It was conceived as an integrated simulation and traffic assignment model and performs traffic simulations by tracking the movement of individual vehicles every 1/10th of a second. This allows detailed analyses of lanechanging movements and shock wave propagations. It also permits considerable flexibility in representing spatial and temporal variations in traffic conditions. In addition to estimating stops and delays, the model can also estimate the fuel consumed by individual vehicles, as well as the emissions. SAFER100Car The SAFER100Car package (SAFER100Car.zip) consists of pre-processed data and analysis tools to facilitate the analysis of the public 100 Car data in Matlab environment. The content of the SAFER100Car package was developed by Marco Dozza (Accident Prevention Group - Applied Mechanics Dept.) at Chalmers University of Technology. The Swedish National Strategic Transport grant and BASFOT2 from Chalmers and SAFER (Vehicle and Traffic Safety Center at Chalmers (http://www.chalmers.se/safer/EN/) supported the development of this analysis package. The SAFER100Car package is free and can be distributed to anyone; however, the Matlab software and data structures are Chalmers copyright. NDSSL Proto-Entities NDSSL has produced several synthetic data sets that are being released to the larger academic community for research. The data sets are based on detailed microscopic simulation-based modeling and integration techniques. Data Sets 1 and 2 represent a synthetic population of the city of Portland. Data Set 3 is a movie showing how the topology of a hypothetical ad-hoc network would change as the vehicles carrying the move. It is based on microscopic simulation of vehicular traffic in Washington, DC. EpiSims

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The Epidemiological Simulation System (EpiSims) has been developed with support from the U.S. Departments of Energy, Homeland Security, and Health and Human Services, with the purpose of providing an experimental test bed for analyzing proposed responses to natural or intentionally caused disease outbreaks. Internet Economics and Commodity Markets Markets are sensitive indicators of infrastructure disruptions and are often used to gauge public mood and awareness in crisis situations. We have recently designed and constructed a detailed agent-based analysis tool for the simulation of large commodity markets and the interdependencies with a physical infrastructure using a synthetic urban population mobility data set. TRANSIMS (TRansportation ANalysis SImulation Systems) TRANSIMS is one part of the multi-track Travel Model Improvement Program sponsored by the U.S. Department of Transportation, Environmental Protection Agency, and Department of Energy with the purpose of developing new, integrated transportation and air quality forecasting procedures necessary to satisfy the Intermodal Surface Transportation Efficiency Act and the Clean Air Act and its amendments. TRANSIMS is a set of integrated analytical and simulation models and supporting databases. The base set of technologies includes modules to develop a synthetic population, activity list, and to route travelers between activities to simulate second-bysecond movements on a transportation infrastructure. Feedback methods for stabilizing the simulation and for modeling some of the transportation characteristics are fundamental elements of the TRANSIMS framework. The TRANSIMS framework simulates the daily activities and movements of individuals in an urban region. The individuals are synthetic - they do not represent specific people - but are statistically indistinguishable from the actual census. Conversely, the locations visited by individuals are real street addresses that reflect actual land-use patterns in a region. TRANSIMS provides the following information about the synthetic population and its mobility: Household structure and demographics Activity locations, times, and durations The number of trips between activities, including route plans and execution of the route plans in the transportation network VT-CORNET: Cognitive Radio Network Testbed Wireless@VT has embarked on the ambitious goal of building a unique heterogeneous wireless communication network testbed based on cognitive radios. The network will consist of 48 radio nodes spread over four floors in a new building. Emphasis will be on cognitive engine design, self-organizing networking algorithms, and network security. This will be the first network of its kind at any university in the country. The testbed will enable researchers from VT and outside to implement and test their algorithms, protocols, applications, and hardware technologies within a realistic environment. VT Cognitive Radio Open Source System

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An effort is currently beginning at Wireless @ VT to develop an open source Cognitive Radio architecture. The objective of the design is to develop a modular system that provides portability and interoperability between components developed using different programming languages. Not only will this allow for flexible development for the cognitive radio system, but will allow developers to focus entirely on the component of choice and to not have to worry about developing or modifying components that have no relevance to their specific focus of research. The current open source system consists of 6 categories of components with a couple being optional: * Cognitive Radio Shell (CRS) * Cognitive Engine (CE) * Policy Engine (PE) ** * Service Management Layer (MSL) ** * Software-Defined Radio Host Platform The VT-CROSS is a modular cognitive radio system framework that utilizes socket connections for the inter-component communication method. Utilizing a socket connection for component communication allows the system components to be developed in a language independent manner. Even though the Cognitive Radio Shell library and API will be implemented in C++, the external modules such as the Cognitive Engine, Service Management Layer, and Policy Engine can be implemented in any language that supports a TCP/IP socket interface. National Incident Management System Point of contact: Dr. Chris Barrett, Network Dynamics and Simulation Science Laboratory (NDSSL), VBI NDSSL has more than 30 full time employees and approximately 30 students. It is supported by several government agencies, DTRA and NIH/NIAID. Annual external agency support is approximately $ 5.6 million per year. Dr. Barrett and his colleagues at NDSSL have developed a comprehensive national incident management system that uses informatics technologies to model the complex interactions within and between issues like disease epidemics, planning and policy-making decisions, and transportation systems. A recently-announced five-year, sole source contract from the Defense Threat Reduction Agency (DTRA) will support continued development of the incident management system to provide agency analysts with decision-making resources. VisCube A Cave Automatic Virtual Environment (CAVE) is an immersive virtual reality environment where projectors are directed to three, four, five or six of the walls of a room-sized cube. The Virginia Tech VisCube features three 10 by 10 walls and a floor of stereo projection screens each running at 19201920 resolution, as well as a wireless tracking system. VisCube provides the strongest sense of immersion the Visionarium has to offer, allowing the user to freely walk around models in their virtual world.

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VIRGINIA MILITARY INSTITUTE

Type of Project: Geophysical Modeling Project: Simulations of seismic wave transmission for use in mine-to-surface emergency communications Professor: COL James Squire, Ph.D., P.E. Description: A digital signal processing model shows how seismic waves can be used to allow communication with trapped miners. The model uses an underground transmitter and portable topside receiver that allow trapped miners to communicate topside. When activated, the transmitter continually transduces a signal into the ground as seismic energy. The receiver collects and processes the ground signal. The presence of a valid signal indicates survivors, and the frequency of the signal indicates their position. The system has been tested in the Natural Bridge Caverns and in 15 seconds can provide a strong signal through over 200' of rock. Patent and license-pending. Intellectual property owned by the VMI Foundation. The project has been reported on the Discovery Channel, FOX News, and NPR Virginia. Type of Project: Biomedical Signal Processing Project: Simulation of hearing impaired using audiology reports Professor: COL James Squire, Ph.D., P.E. Description: The Hearing Impairment Simulator allows parents of hearing-disabled children to hear as their children hear. Parents enter their child's audiology chart and record their own voice or a pre-recorded sound for processing. Project co-advised by Roger Ruth, M.D., president of the American Academy of Audiology, won second place among engineering posters at the VMI URS 2006 and featured on Channel 10 News, Roanoke, WSLS. Type of Project: Bioengineering Modeling Project: Simulation of endovascular stent expansion mechanics for Cordis Corporation Professor: COL James Squire, Ph.D., P.E.; COL Matthew Hyre, Ph.D., M.E. Description: Prediction of Stent Endflare, Arterial Stresses and Flow Patterns in a Stenotic Artery. Acute superficial and deep vascular injury has been found to be a strong predictor of chronic restenosis. This method provides a predictive tool to evaluate the degree of acute vascular injury of new stent geometries prior to in-vivo studies. It presents a method for simulating the balloon/stent expansion within an artery using full-contact nonlinear algorithms. The models are being used to assess the effects of balloon length mismatch on stent expansion characteristics and arterial stresses. Type of Project: Bioengineering Modeling

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Project: Professor: Description:

Simulation of new endovascular stent geometries. COL James Squire, Ph.D., P.E.; COL Matthew Hyre, Ph.D., M.E. Investigate a novel endovascular stent weave pattern inspired by ancient Celtic knots. Featured on local TV WSLS and published/presented at the 2008 National Council of Undergraduate Research.

Type of Project: Electrical and Computer Engineering Project: Computational Intelligence and Evolutionary Robotics Professor: COL Dave Livingston, Ph.D, P.E. Description: Computational intelligence is composed of methods modeled on natural processes such as fuzzy logic, artificial neural networks, and evolutionary computation. The primary use of these techniques involves a large degree of modeling and simulation. For instance, a simulation of natural evolutionary processes is used to optimize system features or to train robotic behaviors. Specific projects that have been accomplished or that are currently underway include developing a fuzzy logic controller for a tick destroying robot, training a neural network to play logic games, developing compact evolutionary algorithms for applications in robot control, and evolving gaits for a hexapedal robot. GENERAL SIMULATION USAGE Type: Course: Users: Description: SPICE Circuit Simulation Used every semester in circuits and electronics courses: EE122 DC Circuits, EE223 Electrical Circuit Analysis, EE255 Electronics, EE356 Electronic Applications and Interfacing All ECE faculty and students SPICE is used to simulate the behavior of electrical and electronic circuits. It is a particularly useful tool for the design of circuits, since proper operation of the circuit can be demonstrated before it is physically constructed. This saves time and therefore money in circuit design. Hardware Description Languages (HDLs) Used every semester in digital circuits and systems courses: EE129 Combinational Logic Circuits and EE228 Sequential Logic Circuits and Digital Systems Design COL Dave Livingston, Ph.D., P.E.; COL Mac Baker, Ph.D.; and ECE students Hardware description languages, principally Verilog, are used to describe (model) digital circuits and systems. Once in HDL form, the circuits can be simulated to investigate their operation and then implemented using programmable logic devices (PLDs). As in the case of analog circuit

Type: Course: Users: Description:

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simulations, the use of HDLs, saves time in the development of digital systems. Type: Course: Geographic Information Systems (GIS) Civil and Environmental Engineering Department offers an introductory course, CE208X, Geographic Information Systems (GIS) as a Civilizations and Cultures X course within the VMI Core Curriculum Users: Civil and Environmental Engineering faculty and students Description: GIS involves storing information with an XYZ coordinate. This information is then utilized to yield maps that can be queried and/or measured in a variety of ways. Thus, they can be and are intimately involved in M&S technologies. The course text is The GIS 20 Essential Skills by Gina Clemmer. The software utilized is ESRI ARC10, (purchased annually under a Higher Education Consortium rate), and Delorme GIS Editor, a 50 state digital elevation model. Students from any VMI department and background are taken through the key chapters of this text as well as numerous case histories and external assignments. Instruction is provided in a computer lab with the above noted requisite software and necessary hardware (e.g. overhead projector, smart podium, 30 computers, color printer, large format color printer, etc.) Examples: Maps created by GIS software and hardware have been used to show that the Dust Bowl in the 1930s was due to a multi-year drought, instead of previous beliefs of overgrazing and farming. Students are asked to utilize GIS to wage war on terrorism with assignments touching upon the now de-classified underground nuclear facility at Qum, Iran as well as an analysis of the vulnerability of the aging New York City Water System. The famous case history of the Broad Street Pump, in antebellum London is studied to see how GIS was used in the 1850s via manually drawn maps to illustrate the spread of deadly Cholera. Students are also exposed to the concepts of GPS, Global Positioning System, to illustrate how millimeter accuracy can be obtained to 3-D located objects of interest. GIS is vast, rapidly growing, and one of the key analysis tools used today for civilian and military, nonclassified and classified.

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VIRGINIA STATE UNIVERSITY Virginia State University faculty and their students are contributing to Virginias reputation as a national resource for modeling and simulation innovation. Notable achievements to date include the following: U. S. Patent 7,928,471 B2 (April 2011) awarded to computer engineering faculty Shahzad Akbar and colleagues at Naval Research Laboratory who used modeling and simulation tools to develop structures involving Si1-xGex and Bragg reflector layers for photo detector and photovoltaic devices. Mathematics students Krystalyn Henderson and Kenyaita Taylor- Hodge were awarded top prizes at Brigham Universitys Undergraduate Conference in March 2011 for their modeling and simulation themed paper on Supercritical Configuration of the Three Body Problem with Inverse Integer Power Law. Biology professor M. Omar Faison and mathematics professor Dawit Haile received a $3 million grant from the U.S. Department of Education to broaden participation among underrepresented minorities at Historically Black Colleges and Universities (HBCUs) for masters degrees in modeling and simulation related bioinformatics and computer science programs. Mathematics professor Diana Purdue was designated a 2009 Fulbright Scholar and awarded a grant from the U.S. Department of State to lecture and conduct research in Rwanda on pre-service teacher curriculum and student-centered pedagogy for teaching mathematics. Computer engineering faculty Shahzad Akbar was recognized by Oak Ridge National Laboratory/ HBCU Faculty Summer Research Program in fall 2007 for work with an electronic beam evaporator to create nano-structured materials that react with methanol and oxygen to generate heat.

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VIRGINIA COMMONWEALTH UNIVERSITY School of Dentistry Realizing the potential and the advantages in using the latest technologies available for teaching, VCU is in the forefront of dental education. The School of Dentistry is using virtual reality based technology to enhance and improve students' learning, performance and patient care. The DentSim is a computerized dental simulator, designed to evaluate students' performance when cutting acrylic teeth, in an environment that closely resembles a dental clinical setting. The computer provides real-time feedback and allows for fast evaluation and correction of students' errors. Using the DentSim, the students are able to prepare more teeth and reach a higher performance level in less time in comparison to the traditional teaching system. This learning process is more effective and allows for advanced training for students (clinically and theoretically), making them better dentists at graduation. Also, weaker students are more easily identified and assisted. The Image Guided Implantology (IGI) enables residents and students to translate their training into clinical performance. IGI acts as a GPS system for placing an implant. Rather than relying solely on X-rays and intuition, dentists now may use the computer to assist them. Users look at the computer screen as a guide to where to drill in addition to looking at the patients themselves. School of Nursing The VCU School of Nursing began incorporating simulation into its clinical education program in the mid 2000s. The school uses simulation to teach students specific psychomotor skills, task training, as well as the complex intellectual skills of clinical reasoning and decision making and interdisciplinary practice and communication. In addition to using simulation to teach skills, the school uses simulation to test select competencies, such as medication administration, health assessment skills, cardiopulmonary resuscitation, and communication. Use of simulation allows the school to introduce students to select procedures and clinical situations that have potential for causing harm to patients if implemented by inexperienced/unskilled students. The safety of care provided by students is enhanced by the use of simulation. Furthermore, with simulation, students are able to repeatedly practice skills and achieve a level of self-confidence and competence that was heretofore not possible. In addition to the education of nursing students, simulation is beginning to be used in an effort to teach inter-professional teams. The Clinical Learning Center at VCU School of Nursing utilizes task training through low and high fidelity simulations to immerse students in clinical situations where their assessments and critical decisions are paramount to the welfare of the patient.

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School of Medicine The VCU Standardized Patient Program is a collaboration between the VCU Theatre Department, the VCU Center for Human Simulation and Patient Safety, and the VCU School of Medicine. Standardized Patients have played an important role in medical education for many years, allowing students to develop interviewing, counseling and physical exam skills working with a professional who is trained to exhibit signs and symptoms of specific diseases and to evaluate the student on the interaction. The orientation of new interns at VCU Health System focuses on the skills necessary to practice safe, effective medicine in a complex environment. A portion of the orientation utilizes simulation to reinforce team climate, conflict resolution, effective consultation, escalation to a higher level of care, effective communication during handoffs and informed consent. The VCU Center for Human Simulation and Patient Safety and the VCU School of Nursing Clinical Skills Center conduct the simulations using high fidelity manikins and Standardized Patients. The program is in its second year, and the simulations are highly valued by incoming interns. A group of doctors and professors at VCU have applied modern technology to sequence the genomes of protozoan parasites, identified their genes, and performed functional reconstructions of the biochemical networks and pathways of which they are capable. Using these functional in silico reconstructions, the group has applied constraint based analysis and a new type of modeling, termed flux balance analysis, to predict the metabolic potentials of these organisms. An important outcome of this work is the ability to predict the essentiality of a gene product or function, and to simulate the outcome expected if the gene function is inhibited. In this way, the group is attempting to solve one of the biggest problems in the development of chemo- and immunotherapy. That is, how to identify a gene product or system, that, when inhibited by chemo- or immunotherapeutics, will, in fact, result in the killing of the pathogen. Once perfected, this technology has very broad impact, and can be applied to any infectious pathogen, and possibly to cancer or other diseases of a genetic basis. The creation of a physical reality surgical trainer was the result of a collaboration between the schools of Engineering, Business, Art, and the Center for Human Simulation and Patient Safety. This high fidelity physical reality surgical trainer for abdominal and pelvic surgery could be used as a tool to support a graduated curriculum in technical and cognitive surgical skill acquisition for abdominal and pelvic surgery training. The expense of creating diverse cases will be significantly less than with a virtual reality model. The physical reality trainer requires the use of actual operating room instruments, thereby allowing the student the opportunity to learn the skills of using and troubleshooting actual operating room technology. In addition, a physical reality trainer provides realistic haptic feedback and allows for essentially infinite variation in surgical anatomy. Learning to formulate strategy and manage difficult surgeries in a high fidelity simulation environment would likely translate to improved operating room performance in surgical trainees.

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School of Allied Health Professions Department of Nurse Anesthesia Our Simulation Center in the Department of Nurse Anesthesia is ranked number one in the country by US News and World Report. A great overview of our Simulation Center can be viewed at: http://www.sahp.vcu.edu/nrsa/simulation/index.html VCU Reanimation Engineering Science Center (VCURES) VCU Reanimation Engineering Science Center (VCURES) is a multidisciplinary research center of excellence at VCU. The mission of VCURES is to serve the Commonwealth of Virginia as an internationally recognized center of excellence devoted to the study of critical illness and injury including their causes, diagnosis, treatment, and prevention. It is envisioned that this effort will lead to the ultimate goal of improving survival and the quality of life of victims of critical illness and injury. The group consists of over 80 investigators from 30 departments within 7 of VCUs schools and colleges. These include clinicians, basic medical and applied scientists, and engineers. Advancement of Point-of-Care (POC) diagnostics is essential in the field of critical illness and injury since minutes can mean the difference between life and death. The breath of expertise has allowed VCURES to place significant emphasis on POC diagnostics both in civilian and battlefield medicine. The following are examples of POC projects being carried out at VCURES. Many of these technologies received initial funding for combat casualty needs and are in the process of commercialization.
Noninvasive Tissue Oximeter

Trauma, burns, sepsis, heart failure, and other diseases can result in death due to deprivation of blood flow and oxygen to tissues. The ability to rapidly assess the presence and severity of this deprivation can be the difference between life and death. VCURES has developed a novel noninvasive means to assess tissue oxygenation by using resonance Raman spectroscopy. This technique provides the chemical fingerprint of oxy-and deoxy hemoglobin thus allowing tissue interrogation to determine the adequacy of both local tissue and whole body oxygenation. The method has been reduced to practice and licensed to Thermo Fisher.
Portable Optical Analysis

The device is designed to be used at the bedside and in the field for rapid assessment of the patients condition and as a guide to the adequacy of therapy. Readings taken from a disposable probe placed under the tongue provide information on blood loss and cardiovascular function within seconds. The device may also be used to determine the blood supply status of wounds and burns or to any tissue during surgery and has great potential to determine the need for and to guide blood transfusions. The technology is developed for utilization by combat medics, paramedics, and healthcare providers working in Emergency Departments, Operating Rooms, Intensive Care Units and Wound Clinics. The device is currently undergoing clinical trials and is expected to be FDA approved in the fall of 2011. The initial development of the technology was supported by the U.S. Office of Naval Research.

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Noninvasive Central Venous Pressure Monitor Knowledge of central venous pressure (CVP) has been demonstrated to be critical in the proper assessment and treatment of patients with heart failure, traumatic shock, and sepsis. However the traditional method of measuring CVP entails placing a large catheter through a major vein in the neck or chest. This can lead to complications including infection, bleeding, and death, and limits where in the health care environment such a measure can be made. VCURES has developed a totally noninvasive method of measuring CVP using tetra-polar impedance plethysmography of the upper or lower limb. The device is small, portable, and is capable of making the measure in less than 1 minute. The device is suitable for use at all levels of hospital and office care and may even be considered for home use. The device has undergone clinical trials and has demonstrated 95% accuracy and the ability to be used as a substitute for the traditional invasive measure of CVP. The product is expected to be FDA approved in late 2011 and has been licensed to NeuMeDx Inc. Noninvasive Intracranial Pressure Monitor VCURES is developing a noninvasive intracranial pressure monitor to assist in the ultraearly diagnosis and treatment of traumatic brain injury (TBI), including those incurred on the battlefield. The technique utilizes low frequency acoustics applied through the skull and measured at the eye followed by special signal processing. The device is portable (even hand held) and will provide actionable data allowing for more accurate decision making and treatment guidance within minutes after injury. The development of the technology is currently being supported by the U.S. Defense Advanced Projects Agency (DARPA). Clinical trials will begin in 2011. The technology has been licensed to Acoustic Medical Technologies Inc. Wearable Physiologic Status Monitor VCURES has partnered with BodyMedia Inc. to develop a small wearable bioinformatically enabled armband capable of transforming low level physiologic signals such as the electrocardiogram, skin temperature and heat flux into an injury and physiologic state index. This index is capable of providing early warning assessments of physiologic deterioration. Derived variables such as oxygen consumption, stroke volume, pulse pressure, and even glucose levels can be provided. The device has no moving parts. VCURES has developed a special heart rate complexity method and with BodyMedia uses advanced machine learning methods with this measure to create this index. The device is envisioned for use in all hospitalized patients through all echelons of care including the ambulance, all hospital settings, and even home health care. The project is funded by the Department of Defense in an effort to produce a physiologic status monitor for remote triage of wounded soldiers. The device is being tested by the U.S. Army Institute of Surgical Research and has shown greater than 90% accuracy is detecting the presence and degree of hemorrhage. The device will be studied in the setting of trauma, infection, heart failure, and other states such as high risk pregnancies. Piezoelectric Based Coagulation Monitor Significant trauma, infection, surgery, brain injury and other acute illnesses may cause rapid alterations in the coagulation and inflammatory systems, which are not readily detectable with current technology. Once obvious coagulopathy develops, mortality is

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significantly increased. Detection of ultra-early changes in the coagulation-inflammatory system at the bedside would significantly increase the opportunity to intervene early as well as enhance our ability to more rationally utilize valuable resources such as blood products. VCURES is developing a small hand-held device, which uses smart materials such as piezoelectric sensors to vibrate blood and examine its response. The response to vibration allows for the detection of very early changes, which cannot otherwise be assessed by any technology currently on the market. One of the first major uses of such a device will be in the early assessment of trauma patients in order to guide transfusion therapy. The device is also envisioned to assist in guiding of anticoagulation therapy for patients with heart and thromboembolic disease. The technology is being considered by several industrial entities as well as the Department of Defense. Automated Microcirculatory Image Analysis Several technologies exist allowing for bedside visualization of the microcirculation using handheld video-microscopy. Such tools have been demonstrated to be extremely helpful in the diagnosis and management of heart failure, sepsis, and trauma. However, a major drawback and impediment in using this technology is the lack of a means to automatically analyze the video information to provide quantitative and actionable data. Current analysis techniques entail offline analysis and software that require over 30 minutes to obtain results. VCURES has developed automated imaging analysis software, which provides a quantitative measure of the microcirculation (functional capillary density) in less than 1 minute after video recording. This will truly lead to the ability to use video-microscopy as a point of care bedside diagnostic and treatment guidance tool. This work is being funded by the National Science Foundation. The technology is being evaluated by several industrial entities. Acoustic Consciousness Monitor Assessment of a patients level of consciousness can be critical during operative procedures and intensive care when patients are also given drugs which prevent them from voluntarily moving. Such assessment allows for careful titration and use of anesthetics and sedatives. Furthermore, our ability to determine the depth of coma after injury is very limited. VCURES is developing a small bedside monitor, which examines the specific brain response to a special sound. The brains response to this sound is universally the same in all humans. Response to this sound requires a specific degree of consciousness. Tracking the brains response to this sound will allow the assessment of the depth of anesthesia and sedation. It may also be valuable in the assessment of coma and as an early indicator of return to consciousness after significant brain injury. The technology has been licensed to Acoustic Medical Technologies Inc.

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