2011 Annual Meeting

Session: Multiscale Modeling I

Chair

Marc-Olivier Coppens, Rensselaer Polytechnic Institute

Co-Chair

Erik E. Santiso, Massachusetts Institute of Technology

Presentations

08:30 AM

(37a) Mechanistic Study of Methane Hydrate Nucleation Under Realistic Conditions
Brandon C. Knott, Michael F. Doherty, Baron Peters

08:48 AM

(37b) Development of a Coarse –Grained Model, and Its Application to Free Energy Studies In Proteins
Spyridon Vicatos, Anna Rychkova, Anatoly Dryga, Arieh Warshel

09:06 AM

(37c) Coarse-Graining Proteins Using Relative Entropy Theory
Aviel Chaimovich

09:24 AM

(37d) A Multi-Scale Modeling Study of MDH-Catalyzed Methanol Oxidation: The Effect of the Ion In the Enzyme Active Site

09:42 AM

(37e) Dynamics and Control of Aggregate Thin Film Surface Morphology for Improved Light Trapping: Implementation On a Large-Scale Kinetic Monte-Carlo Simulation
Xinyu Zhang

10:00 AM

(37f) A Predictive Control Approach for Thin Film Growth of Photovoltaic Systems
Ali Rahnamoun

10:18 AM

(37g) Moment Closure for Chemical Reactions
Yiannis Kaznessis, Fatemeh Ghasemi

10:36 AM

(37h) Multiscale Analysis and Simulation of Bubbly Flow
Jianhua Chen, Jinghai Li, Zongying Wu