Coarse Graining and Molecular Dynamics Simulation

Abstract:

I will introduce the coarse graining technique, as used in molecular dynamics simulations, and discuss some of its advantages and disadvantages.  The talk will end with some of my recent work that allows for more general coarse-graining schemes to be systematically formulated.

Bio:

Mark Thachuk is an Associate Professor of theoretical chemistry at the University of British Columbia in Vancouver, Canada.  He earned a PhD at the University of Waterloo in the field of gas-phase kinetic theory.  His research over the years has focused on topics in kinetic theory, reaction dynamics, and coarse-grain molecular dynamics methods.