| 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 AM | 321a | Frontiers of Molecular Simulation Juan J. De Pablo | |
| 8:50 AM | 321b | Monte Carlo Simulation of Molecular Adsorption Paul R. Van Tassel | |
| 9:40 AM | 321c | The Multi-Scale Simulation Challenge for Biomolecular Systems GREGORY A. Voth | |
| Sponsor: | Computational Molecular Science and Engineering Forum | ||
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