Thursday, November 16, 2006: 8:30 AM-11:00 AM
Imperial A (Hilton San Francisco)
#514 - Plenary Session on Computational Molecular Science and Engineering (21000)
This session will consist of invited presentations in the area of computational molecular science and engineering.
Chair:Randall Q. Snurr
CoChair:Paulette Clancy
8:30 AMEquation-Free Modeling for Complex/Multiscale Systems
Yannis G. Kevrekidis
9:00 AMUsing First Principles Methods to Accelerate Materials Discovery for Hydrogen Production and Storage
David S. Sholl
9:30 AMCreating and Harnessing Complex Reaction Networks
Linda J. Broadbelt
10:00 AMSimulation of Self-Assembly in Colloidal and Polymeric Systems
Fernando A. Escobedo
10:30 AMCosmo-Rs: from Quantum Chemistry to Fluid Phase Thermodynamics
Andreas Klamt

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