Preliminary Program subject to change
T3020 Hybrid Multiscale Simulation
OverviewPapers are solicited that present studies on the simulation of systems with time and length scales that span many orders-of-magnitude. This includes hybrid simulation algorithms in which Monte Carlo and/or Molecular Dynamics models are dynamically coupled to continuum-level distributed parameter models, as well as coarse-grained or mesoscopic simulation models designed to improve the numerical stability and accuracy at the interface between such models. Papers on numerical algorithms, numerical and dynamical analysis, bifurcation studies, and order reduction of multiscale models will be considered. Both novel multiscale simulation algorithms and new applications of existing techniques are of interest.
Primary SponsorTopical 3 - Multiscale Analysis in Chemical, Materials and Biological Processes (T3)
Co-Sponsor(s)Computational Molecular Science and Engineering Forum (21)

Chair

Richard D. Braatz
Professor
University of Illinois
600 South Mathews Avenue
93 Roger Adams Laboratory, Box C-3
Urbana, IL 61801-3602
United States of America
Phone Number: 1-217-333-5073
Fax Number: 1-217-333-5052
Email: braatz@uiuc.edu

CoChair

Prasenjeet Ghosh
ExxonMobil. Process Research Laboratories
Paulsboro, NJ 08066
Phone Number: (856)224-3074
Email: prasenjeet.ghosh@exxonmobil.com
Guidelines for the Design of Multiscale Simulation Codes
Richard D. Braatz, Chemical and Biomolecular Engineering, University of Illinois at Urbana-Champaign, 114 Roger Adams Laboratory, Box C-3, 600 South Mathews Avenue, Urbana, IL 61801, Yuan He, Univ. of Illinois at Urbana-Champaign, 209 Roger Adams Lab, Box #C-3, 600 S. Mathews, Urbana, IL 61801 and Richard C. Alkire, Univ. of Illinois at Urbana-Champaign, 114 RAL, 600 S Mathews, Urbana, IL 61801
Multiscale Modeling of Structure and Phase Behavior in Heterogeneous Lipid Bilayers
Sandra Bennun-Serrano, Allison N. Dickey and Roland Faller, UC Davis, One Shields Ave, Davis, CA 95616
Exploring the Allostery of Actin Filaments Via Molecular Dynamics Simulations and Coarse-Grained Analysis
Jhih-Wei Chu, Center for Biophysical Modeling and Simulation and the Department of Chemistry, University of Utah, Room 2020, 315 S 1400 E, Salt Lake City, UT 84112 and GREGORY A. Voth, Center for Biophysical Modeling and Simulation and the Department of Chemistry, University of Utah, Room 2020, 315 S 1400 E, Salt Lake City, UT 84112
Input Output Optimal Control of Multi-Scale Systems Using Adaptive Policy Iteration
Eduardo J. Dozal-Mejorada, Carnegie Mellon University, Doherty Hall 3112, Chemical Engineering Department, Carnegie Mellon University, Pittsburgh, PA 15213 and B. Erik Ydstie, Carnegie Mellon, 5000 Forbes Ave, Pittsburgh, PA 15213
Dynamic Optimization of Stochastic Systems Using in Situ Adaptive Tabulation
Amit Varshney, Pennsylvania State University, 23 Fenske Laboratory, Pennsylvania State University, University Park, PA 16802 and Antonios Armaou, The Pennsylvania State University, University Park, PA 16802
Predictive Control of Thin Film Deposition Using Stochastic Pdes
Dong Ni, University of California, Los Angeles, Department of Chemical Engineering, Los Angeles, CA 90095-1592 and Panagiotis D. Christofides, University of California, Los Angeles, Department of Chemical Engineering, Boelter Hall 5531, Los Angeles, CA 90095-1592

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