Preliminary Program subject to change
21005 Multiscale Modeling I
OverviewThis session is concerned with multi-scale modeling of scientific and engineering systems. Problems can range from molecular modeling to phase equilibrium to transport and reaction kinetics to multi-scale processing, as well as others. Both methodological and application papers on multi-scale modeling, simulation and/or optimization are welcome. The primary theme of any contribution should be either the multi-scale nature of the model or the simulation and/or optimization of that model, and should focus on a minimum of two separate time or length scales.
Primary SponsorComputational Molecular Science and Engineering Forum (21)

Chair

Angelo Lucia
Professor
University of Rhode Island
Dept of Chem. Engineering
Kingston, RI 02881
Phone Number: 401-874-2814
Email: lucia@egr.uri.edu

* Membership Number 46222

CoChair

Ioannis Androulakis
Assistant Professor
Rutgers - The State University of New Jersey
Biomedical Engineering Department, Chemical & Biochemical Engineering Department
Room 108 BME Building - 617 Browser Road
Piscataway, NJ 08854
Phone Number: 732 445 0099
Fax Number: 732 445 3753
Email: yannis@rci.rutgers.edu
Introductory Remarks
Probabilistic Molecular Dynamics: Playing Dice with Molecules
Frank T. Willmore, Isaac C. Sanchez and Xiaoyan Wang, Chemical Engineering, University of Texas at Austin, Mail Code C0400, Austin, TX 78712
Local Estimation and Coarse-Grained Numerics for Stochastic Reaction Models
Christopher P. Calderon, Princeton University, A217 Equad Chemical Eng, Princeton U, Princeton, NJ 08544 and Yannis G. Kevrekidis, Princeton University, A215 Engineering Quadrangle, Princeton University, Princeton, NJ 08544
Reduction of Multi-Scale Systems of Chemical Langevin Equations
Vassilios Sotiropoulos, Chemical Engineering and Material Science, University of Minnesota, 151 Amundson Hall, 421 Washington Ave SE, Minneapolis, MN 55455, Marie-Nathalie Contou-Carrere, University of Minnesota, Chemical Engineering and Materials Science Department, 151 Amundson Hall, Minneapolis, MN 55455-0132, Prodromos Daoutidis, Chemical Engineering and Materials Science, University of Minnesota, 151 Amundson Hall, Minneapolis, MN 55455 and Yiannis N. Kaznessis, Chemical Engineering. and Materials. Science, University of Minnesota, 499, Walter Library, 117, Pleasant St. SE, Minneapolis, MN 55455
Multiscale Modeling of Coupled Drying and Nonideal Polymerization in Sol-Gel Silica Films
Xin Li and Stephen E. Rankin, Chemical and Materials Engineering, University of Kentucky, 177 Anderson Hall, Lexington, KY 40506
The Optimal Bidisperse Pore Structure of a Catalyst Chip
Gang Wang1, Eivind Johannessen1, Chris R. Kleijn2, Simon W. de Leeuw1 and Marc-Olivier Coppens1, (1)Physical Chemistry and Molecular Thermodynamics, DelftChemTech, Delft University of Technology, Julianalaan 136, 2628 BL, Delft, Netherlands, (2)Department of Multi Scale Physics, Delft University of Technology, Prins Bernhardlaan 6, 2628 BW, Delft, Netherlands
Multiscale Modeling and Analysis: Bridge the Gap between Material Design and Material Application in Surface Coating
Jie Xiao, Department of Chemical Engineering and Materials Science, Wayne State University, 5050 Anthony Wayne Drive, Detroit, MI 48202 and Yinlun Huang, Wayne State University, 5050 Anthony Wayne Drive, Detroit, MI 48202
Multiscale Modeling of the Physiological Response of Skin to Focused High Power Microwave Exposure
Sang Ok Song and Jeffrey D. Varner, Chemical and Biomolecular Engineering, Cornell University, Olin Hall, Ithaca, NY 14853
Concluding Remarks

Computational Molecular Science and Engineering Forum