Friday, November 17, 2006: 3:15 PM-5:45 PM
Continental 2 (Hilton San Francisco)
#695 - Numerical Methods for Molecular and Mesoscopic Systems (10D11)
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:Dimitrios Maroudas
CoChair:Dmitry I. Kopelevich
3:15 PM695aCoarse MD Exploration of Effective Free Energy Landscape for Alanine-Dipeptide in Water
Thomas A. Frewen, Yannis G. Kevrekidis, Gerhard Hummer
3:40 PM695bHybrid, Multiscale Algorithm for Simulating Stochastic Systems
Asawari Samant, Dionisios G. Vlachos, Babatunde A. Ogunnaike
4:05 PM695cDiffusion Monte-Carlo without All the Hops
Tomas Oppelstrup, Vasily V. Bulatov, George H. Gilmer, Malvin H. Kalos, Babak Sadigh
4:30 PM695dApplication of the Dissipative Particle Dynamics Method to Ferromagnetic Colloidal Dispersions
Akira Satoh, Roy W. Chantrell
4:55 PM695eKarhunen-Loeve Analysis for Pattern Description in Phase Separated Lipid Bilayer Systems
Roland Faller, Jeff Switzer, Sandra V. Bennun, Margie Longo, A. Palazoglu
5:20 PM695fMarkovian Analysis and Simulation of the Formation of Carbon Adsorbents: Non-Linear Modeling
A. Argoti, L. T. Fan, W. P. Walawender, S. T. Chou

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