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Publications
Proceedings
2011 Annual Meeting
Catalysis and Reaction Engineering Division
Multiscale Modeling I
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
