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Publications
Proceedings
2012 AIChE Annual Meeting
Computational Molecular Science and Engineering Forum
Multiscale and Molecular Modeling for Renewable Energy Systems
2012 AIChE Annual Meeting
Session: Multiscale and Molecular Modeling for Renewable Energy Systems
Chair
Jim Pfaendtner
, University of Washington
Presentations
03:15 PM
(574a) Morphological Studies of Conjugated Polymer Based Materials Using Coarse-Grained Molecular Simulations [Invited Talk]
Arthi Jayaraman
03:45 PM
(574b) Theoretical Calculations On Fullerene Derivatives
Adam J. Moulé, Varuni Dantanarayana
04:03 PM
(574c) Heat Transfer Characteristics of a Nanofluid within a Heated Lid-Driven Cavity Using Multiscale Modeling Techniques
John Shelton, C. F. Higgs
04:21 PM
(574d) Identification of Molecular-Level Contributions to Processivity in Glycoside Hydrolases From Computational and Experimental Studies of Serratia Marcescens Chitinases
Christina M. Payne, Gustav Vaaje-Kolstad, Vincent Eijsink, Morten Sørlie
04:39 PM
(574e) Multiscale Modeling of Cellulose Unzipping in Ionic Liquids
Ahmed E. Ismail
04:57 PM
(574f) Adsorption of Model Peptides and the Carbohydrate Binding Module: An Enhanced Sampling Molecular Dynamics Study
Michael Deighan, Jim Pfaendtner, Peter Englund
05:15 PM
(574g) Free Energy of Desorption of Cello-Oligosaccharides From a Cellulose Crystal Surface
