Wednesday, 2 November 2005: 8:00 AM-10:30 AM
201 (Cincinnati Convention Center)

Computational Molecular Science and Engineering Forum (21)

#321 - Frontiers of Molecular Simulation (Invited Talks) (21007)
This plenary session will highlight recent advances and remaining challenges in molecular simulations for chemical engineering applications. Examples of such applications include chemical processing, interfacial phenomena, catalysis, molecular design, elucidating structure-function relationships, understanding biomolecular processes, and multiscale modeling of complex systems. Molecular simulation methods, strategies for spanning length and timescales of particular applications, and the computational science challenges of molecular scale modeling will be included.
CoChair:David M. Ford
Chair:Grant S. Heffelfinger
8:00 AMFrontiers of Molecular Simulation
Juan J. De Pablo
8:50 AMMonte Carlo Simulation of Molecular Adsorption
Paul R. Van Tassel
9:40 AMThe Multi-Scale Simulation Challenge for Biomolecular Systems
GREGORY A. Voth
Sponsor:Computational Molecular Science and Engineering Forum

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