Numerical Methods for Molecular and Mesoscopic Systems
AIChE Annual Meeting
Hilton San Francisco
Friday, November 17, 2006 - 3:15pm to 5:45pm
This session will address advances in numerical simulation methods for molecular- and mesoscopic-scale modeling of complex systems. Numerical methods of interest span a broad spectrum and include stochastic simulation methods such as kinetic Monte Carlo and Brownian dynamics, methods for analysis of rare-event dynamics, coarse time-stepper-based methods for nonlinear analysis of dynamical systems such as coarse molecular dynamics, methods for statistical analysis of microscopic simulations, and optimization methods.
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