This preliminary program is subject to change.

Multiscale Modeling


Description:
Many interesting phenomena involve processes that span multiple characteristic length and/or time scales. Multiscale modeling has emerged as a valuable technique for developing analytical models that describe the interplay between disparate scales. Multiscale modeling techniques also provide a pathway for rational design of catalysts and other materials. Both fundamental and applied papers are invited. Especially encouraged are papers on the development, analysis or use of new analytical and computational methods that allow bridging multiple length and/or time scales. Also papers related to technological applications in the areas of (bio)catalysis and reaction engineering, reactor design, (bio)materials and related areas are solicited.

Sponsor:
Catalysis and Reaction Engineering Division
Co-Sponsor(s):
Computational Molecular Science and Engineering Forum (21), Applied Mathematics and Numerical Analysis (10D)


Chair:
Jim Pfaendtner
Assistant Professor
University of Washington
Chemical Engineering
Seattle, WA 98195
Phone Number: 206-616-8128
Fax Number: 206-685-0666
Email: jpfaendtner@uw.edu

Co-Chair:
Marc-Olivier Coppens
Professor
Rensselaer Polytechnic Institute
Isermann Department of Chemical and Biological Engineering
110 8th Street
Troy, NY 12180
Phone Number: 518-276-2671
Email: coppens@rpi.edu


Papers:
Reduction of Stochastic On-Lattice Chemical Kinetics Models to Well-Mixed Descriptions Via Singular Perturbation
Michail Stamatakis, University of Delaware; Dionisios G. Vlachos, University of Delaware
A Coarse-Grained Approach to Agent-Based Computations: Coarse Bifurcation Analysis, Rare Event Analysis, and a Patch Dynamics Scheme
Ping Liu, Princeton University; William Gear, Princeton University; Giovanni Samaey, K.U. Leuven; Ioannis G. Kevrekidis, Princeton University
A Continuum-Atomistic Hybrid Simulation of Droplet Spreading On a Flat Solid Surface
Hongfei Wu, Pennsylvania State University; Kristen A. Fichthorn, Pennsylvania State University; Ali Borhan, Pennsylvania State University
Multiphysics Simulation of Interfacial Phenomena by Fluctuating Hydrodynamics
Barry Shang, University of California - Berkeley; Jhih-Wei Chu, University of California - Berkeley
Evaluation of Metamodeling Techniques for Discrete-Time Approximations
Andres F. Hernandez Moreno, Georgia Institute of Technology; Martha A. Grover, Georgia Institute of Technology
A Novel Computational Architecture for Construction and Execution of Modular, Multiscale, Multi-Algorithmic Dynamical Models
Leonard A. Harris, University of Pittsburgh School of Medicine; Justin S. Hogg, University of Pittsburgh School of Medicine; Mohammad Fallahi-Sichani, University of Michigan; Jennifer J. Linderman, University of Michigan; Denise E. Kirschner, University of Michigan Medical School; James R. Faeder, University of Pittsburgh School of Medicine
Managing Multi-Scale Modeling Issues in Chemical Engineering – a Computer-Aided Framework
Martina Heitzig, Technical University of Denmark; Gürkan Sin, Technical University of Denmark; Peter Glarborg, Technical University of Denmark; Rafiqul Gani, Technical University of Denmark
See more of this Group/Topical: Catalysis and Reaction Engineering Division