| Tuesday, 1 November 2005: 12:30 PM-3:00 PM | |||
| 264 (Cincinnati Convention Center) | |||
Computational Molecular Science and Engineering Forum (21) | |||
| #224 - Multiscale Modeling and Simulation Methods (21005) | |||
| This session will cover new methods for multiscale modeling and simulation. The focus will be on development and testing of new techniques. Methods for extending both the time scales and length scales accessible to detailed simulations are appropriate. Examples could include new linkages between ab initio and force field methods, accelerated molecular dynamics techniques, novel linkages between molecular dynamics and finite-element modeling, hierarchical approaches, and other hybrid methods. | |||
| CoChair: | Monica H. Lamm | ||
| Chair: | Randy Snurr | ||
| 12:30 PM | 224a | Coarse Projective Molecular-Dynamics Integration for the Study of Structural Transitions in Condensed Matter Miguel A. Amat, Ioannis G. Kevrekidis, Dimitrios Maroudas | |
| 12:55 PM | 224b | Development of a Multiscale Scheme for Modeling Fluid Phase Concentration Variations in Two Dimensions for Catalytic Flow Reactors Debarshi Majumder, Linda Broadbelt | |
| 1:20 PM | 224c | Multiscale Modeling of Receptor-Mediated Platelet Adhesion to Surfaces under Flow Nipa Mody, Michael R. King | |
| 1:45 PM | 224d | Spanning Time and Length Scales in Simulations of Polymer Solutions O. Berk Usta, A.J.C LADD, Jason E. BUTLER | |
| 2:10 PM | 224e | Using Bead-Spring Repulsions to Model Entanglement Interactions in Brownian Dynamics of Bead-Spring Chains Sean P. Holleran, Ronald G. Larson | |
| 2:35 PM | 224f | Peo/Pmma Blend: a Coarse-Grained Approach to Observe Entangled Dynamics Praveen K. Depa, Janna K. Maranas | |
| Sponsor: | Computational Molecular Science and Engineering Forum | ||
| Cosponsors: | Engineering Sciences and Fundamentals | ||
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