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           COLLOQUIUM OF THE COMPUTATIONAL MATERIALS SCIENCE CENTER
                              College of Science
                       (CDS Department CSI 898-Sec 001)
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"Stitching Time: Accelerating the simulation of materials systems"

			Michael Falk
       Department of Materials Science and Engineering 
           Johns Hopkins University, Baltimore, MD
	
Molecular dynamics simulation has been a very useful tool for
understanding materials systems.  This has been particularly true in studying
non-equilibrium  effects including ageing, radiation and
mechanical failure.  However molecular dynamics methods are
constrined to sub-microsecond time scales, and this greatly limits their
wider applicability.  I will discuss our efforts to achieve much
longer time scale simulations by accelerating kinetic Monte Carlo
methods and extending molecular dynamics with a method known as
"hyperdynamics".  We are applying these methods to the study of dopant
diffusion in silicon and nanoscale friction, respectively.  Both methods are based
on transition state theory and require the simulation to deal with atomic scale
processes that can occur on multiple time scales.  The
theoretical foundations of these methods will be discussed as well as
our preliminary approaches for extending these techniques.


                        Monday, April 13, 2009
                                  4:30 pm
                     Room 301, Research I, Fairfax Campus

Refreshments will be served at 4:15 PM.
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Find the schedule at www.cmasc.gmu.edu/seminar/schedule.html
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