Computational Science and Modeling

1. Computational Science and Modeling

2. What is computational science and modeling (CSM)? • Using computers to help gain scientific understanding • Using computers to run calculations of complex situations and create representative models • Used in many, if not all, science fields • Biology, chemistry, meteorology, geology, physics, engineering, computer science, math, nursing, psychology • Also military and commercial uses

3. Meteorology • Before computers… • meteorologists solved mathematical equations by hand to predict weather conditions • This was slow and tedious • This changed with the development of electronic computers in the 1940’s • One of the first computers was the Electronic Numerical Integrator and Computer (ENIAC) • ENIAC used in 1950 to solve meteorological equations relatively quickly (24 hr. calculations) • Computers now solve complex equations for forecast models P. Lynch, The origins of computer weather prediction and climate modeling, J. Comput. Phys. (2007), doi:10.1016/j.jcp.2007.02.034 Picture from http://weather.unisys.com/

4. Traffic Flow Modeling • Study of traffic flow using computers began in 1990’s • Used for city planning and to prepare for emergency events • Integrates statistics, physics, and psychology • Density of traffic, braking mechanism, drivers’ anticipated reactions Minkel, J. R. (2004). The Computer Minds the Commuter. Physical Review: Focus, 13. Retrieved from http://focus.aps.org/story/v13/st26#author Lee, H. K., Barlovic, R., Schreckenberg, M., Kim, D,. (2004) Mechanical Restriction Versus Human Overreaction Triggering Congested Traffic States, Phys. Rev. Lett. 92, 238702 Picture from http://oumits.olemiss.edu/research_traffic_count.htm

5. Genome Sequencing • 1978—computers recognized as key tool for sequencing DNA • 1990—Human Genome Project (HGP) began • 1998—Increased computer power allowed a new method to solve genome sequence much faster • Computational study of genome sequences has led to a whole new field called bioinformatics Pillsbury, E., A History of Genome Sequencing http://bioinfo.mbb.yale.edu/course/projects/final-4/ Danchin, A., A Rattling Good History: The Story of the Human Genome Projecthttp://www.normalesup.org/~adanchin/populus/hgp.html Pictures from http://www.wired.com/medtech/health/news/2003/02/57674?currentPage=all http://www.kscience.co.uk/as/module2/dna_structure/DNA_files/History%20of%20DNA%20research_files/cell-to-DNA.jpg

6. Fluid Dynamics • Of gases, liquids, heat, sound, blood, stars, galaxies --anything that flows • Used in design of extraordinary array of devices • Aerodynamics: airplanes, cars, sprinters, cyclists • Hydrodynamics: boats, racing suits • Earthquakes: buildings, bridges • Combustion: engines, power plants • Many others • Integrates physics, chemistry, and engineering Aeronautical Research and Test Institute (2009) http://www.vzlu.cz/en/activities/aerodynamics-computing/computer-fluid-dynamics What is Computational Fluid Dynamics (CFD), ANSYS Inc. http://www.fluent.com

7. Global Climate • NASA Center for Climate Simulation (NCCS) at the Goddard Space Flight Center (and others) • Computers take into account pollution, humidity, temperature gradients, energy, sources and sinks • Model changes in arctic sea ice thickness, tide height, and the ozone layer Schmunk, R. B., Global Climate Modeling , (2009) Goddard Space Flight Institutehttp://www.giss.nasa.gov/research/modeling/gcms.html Pictures from: NASA/Goddard Space Flight Center, Scientific Visualization Studio http://svs.gsfc.nasa.gov/vis/a000000/a001000/a001075/index.htmlhttp://svs.gsfc.nasa.gov/vis/a010000/a010500/a010563/index.htmlhttp://svs.gsfc.nasa.gov/vis/a010000/a010500/a010568/index.html

8. Epidemiology • Computers used to understand the causes of and spreading of diseases and to develop methods of intervention • More people and factors can be studied with computers than by hand models • Integrating factors such as population structure, biology, age of individuals, climate, diet, and other real world situations • Diseases such as cancers, AIDS, Alzheimer’s, avian influenza, measles, Foot-and-Mouth disease, and pneumonia Duke-Sylvester, S. M., Perencevich, E. N., Furuno, J. P., Real, L. A., Gaff, H. (2008) Advancing Epidemiological science through computational modeling: a review with novel examples. Ann. Bot. Fennici45, 385-401 http://www.sekj.org/PDF/anz45-free/anz45-385.pdf Division of International Epidemiology and Population Studies (DIEPS), U.S. NIH John E. Fogarty International Center for Advanced Study in the Health Sciences http://www.fic.nih.gov/epipopstudies.htm

9. Computer Generated Images (CGI) • First used in a film called Westworld (1973) • Toy Story (1995) was the first animated film using all CGI • Animusic– Animations set to music • Idea began in 1982 by Wayne Lytle • Artists create the characters/ objects and control lighting while the computer automatically adds shadows and multiple views Yaeger, L. S. (2002). A Brief, Early History of Computer Graphics in Film http://www.beanblossom.in.us/larryy/cgi.html History, Animusic: Computer Animated Music http://www.animusic.com/company/history.php What is a Computer Generated Image? (2003). The Sketch Farm http://www.sketchfarm.com/cgi_page.html Pictures from http://www.animusic.com/news/index.php http://disneybooks.disney.go.com/books/1423129679.html

10. Medicine • Model musculoskeletal movement • Predict causes of birth defects • Model tumor growth • Help surgeons practice and plan before the surgery • Predict outcomes of treatments for spinal deformities PSRG Projects: Patient-specific biomechanical modelling for improved treatment of spinal deformity, (2009) Queensland University of Technologyhttp://www.bee.qut.edu.au/research/themes/medicalengineering/paediatrics/projects.jsp Guyuron, B, Ross, R. J., (1989) Computer-generated model surgery: An exacting approach to complex craniomaxillofacial disharmonies. Journal of Cranio-Maxillofacial Surgery 17, 101-104 Hollmer, M. Computer Model Predicts Brain Tumor Growth And Evolution (2009) Medical News Todayhttp://www.medicalnewstoday.com/articles/150666.php Fisher, J. C., and Bodenstein, L. (2006) Computer simulation analysis of normal and abnormal development of the mammalian diaphragm. Theoretical Biology and Medical Modelling 3, 1-17 http://www.tbiomed.com/content/3/1/9 Musculoskeletal Modeling Dynamic Simulations: Jumping (1996) Goddard Space Flight Center: Scientific Visualization Studio http://svs.gsfc.nasa.gov/vis/a000000/a000000/a000094/index.html

11. In the Military • Predicting cost, time constraints, potential difficulties, and the best mode of transportation in the deployment of troops • Simulating events and circumstances for training • Modeling human behavior to improve military simulations for training • Forecasting the cost of maintaining weapons systems and aircraft Uǧur Z. Yildirim , I. Sabuncuoǧlu , BarbarosTansel, A simulation model for military deployment, Proceedings of the 39th conference on Winter simulation: 40 years! The best is yet to come, December 09-12, 2007, Washington D.C. Smith, Roger. "Military Modeling". CRC Handbook of Dynamic System Modeling. Boca Raton: Taylor & Francis Group, LLC, 2007. Pew, Richard, and Anne Mavor. Modeling Human and Organizational Behavior: Application to Military Simulations. Washington: National Academy Press, 1998. "Become Confident in Your Forecast of Weapon System Support Requirements". LMCI Consulting. 7-20-10 <http://logmodctr.com/forecasting/>. "Virtual Warriors Push Envelope at 9th Annual MOVES Research Summit". Navel Postgraduate School. 7-20-10 <http://www.nps.edu/About/News/Virtual-Warriors-Push-Envelope-at-9th-Annual-MOVES-Research-Summit-.html>.

12. Another cool site about CSM • The Society for Modeling & Simulation International http://www.scs.org/