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

Topical 3 - Multiscale Analysis in Chemical, Materials and Biological Processes (T3)

#309 - Coarse-Graining and Model Reduction (T3021)
This session considers aspects of analysis and simulation of complex systems by means of various techniques for reducing the number of degrees of freedom.
CoChair:Cameron F. Abrams
Chair:Panagiotis D. Christofides
8:00 AM309aHierarchical Multiscale Stochastic Simulations
Abhijit Chatterjee, Dionisios G. Vlachos
8:15 AM309bDeveloping a Reduced Order State Space Model for a Thin Film Deposition Process
Cihan Oguz, Martha A. Gallivan
8:30 AM309cDevelopment of Approximate Growth Models to Control Thin-Film Deposition Using Stochastic Differential Equations
Amit Varshney, Antonios Armaou
8:45 AM309dFrom Atomistic to Mesoscale Models: Coarse-Graining Techniques
Naresh Chennamsetty, Henry Bock, Keith E. Gubbins, Jörg Silbermann, Sabine H. L. Klapp, Martin Schoen
9:00 AM309eCoarse-Graining the Actin Filament from Atomistic Simulations
Jhih-Wei Chu, GREGORY A. Voth
9:15 AM309fDevelopment of Coarse-Grained Force Fields for Polymer-Tethered Silsesquioxanes
Elaine R. Chan, Alberto Striolo, Clare McCabe, Peter T. Cummings, Sharon C. Glotzer
9:30 AM309gCoarse-Grained Molecular Dynamics Simulations of Polymer Melts: Crossover from the Rouse to Reptation Regime
Praveen K. Depa, Janna K. Maranas
9:45 AM309hAn Equation-Free Probabilistic Steady State Approximation: Dynamic Application to the Stochastic Simulation of Chemically Reacting Systems
Howard Salis, Yiannis Kaznessis
Sponsor:Topical 3 - Multiscale Analysis in Chemical, Materials and Biological Processes
Cosponsors:Catalysis and Reaction Engineering Division; Computational Molecular Science and Engineering Forum

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