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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
Coppens, M. O.
, Rensselaer Polytechnic Institute
Co-Chair
Santiso, E. E.
, Massachusetts Institute of Technology
Presentations
08:30 AM
(37a) Mechanistic Study of Methane Hydrate Nucleation Under Realistic Conditions
Knott, B. C.
,
Doherty, M. F.
,
Peters, B.
08:48 AM
(37b) Development of a Coarse –Grained Model, and Its Application to Free Energy Studies In Proteins
Vicatos, S.
,
Rychkova, A.
,
Dryga, A.
,
Warshel, A.
09:06 AM
(37c) Coarse-Graining Proteins Using Relative Entropy Theory
Chaimovich, A.
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
Zhang, X.
10:00 AM
(37f) A Predictive Control Approach for Thin Film Growth of Photovoltaic Systems
Rahnamoun, A.
10:18 AM
(37g) Moment Closure for Chemical Reactions
Kaznessis, Y.
,
Ghasemi, F.
10:36 AM
(37h) Multiscale Analysis and Simulation of Bubbly Flow
Chen, J.
,
Li, J.
,
Wu, Z.