2006 AIChE Annual Meeting

Session: Numerical Methods for Molecular and Mesoscopic Systems

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.

Chair

Maroudas, D., University of Massachusetts Amherst

Co-Chair

Kopelevich, D., University of Florida