574 Multiscale and Molecular Modeling for Renewable Energy Systems

Wednesday, October 31, 2012: 3:15 PM
415 (Convention Center )
Description:
Contributions discussing multiscale and molecular modeling for renewable energy systems

Sponsor:
Computational Molecular Science and Engineering Forum
Co-Sponsor(s):
ICE2012: Alternative Energy & Enabling Technologies (T4E)

Chair:
Jim Pfaendtner
Email: jpfaendt@uw.edu

Co-Chair:
Jhih-Wei Chu
Email: jwchu@berkeley.edu


3:15 PM
(574a) Morphological Studies of Conjugated Polymer Based Materials Using Coarse-Grained Molecular Simulations [Invited Talk]
Arthi Jayaraman

3:45 PM
(574b) Theoretical Calculations On Fullerene Derivatives
Varuni Dantanarayana, Adam J. Moulé and Roland Faller

4:03 PM
(574c) Heat Transfer Characteristics of a Nanofluid within a Heated Lid-Driven Cavity Using Multiscale Modeling Techniques
John Shelton and C. F. Higgs III

4:21 PM
(574d) Identification of Molecular-Level Contributions to Processivity in Glycoside Hydrolases From Computational and Experimental Studies of Serratia Marcescens Chitinases
Christina M. Payne, Erik Kuhn, Gustav Vaaje-Kolstad, Vincent Eijsink, Morten Sørlie and Gregg T. Beckham

4:39 PM
(574e) Multiscale Modeling of Cellulose Unzipping in Ionic Liquids
Brooks D. Rabideau, Cesar Ojeda and Ahmed E. Ismail

4:57 PM
(574f) Adsorption of Model Peptides and the Carbohydrate Binding Module: An Enhanced Sampling Molecular Dynamics Study
Michael Deighan, Peter Englund and Jim Pfaendtner

5:15 PM
(574g) Free Energy of Desorption of Cello-Oligosaccharides From a Cellulose Crystal Surface
Lakshmi Muthukumar and Rajesh Khare
See more of this Group/Topical: Computational Molecular Science and Engineering Forum
<< Previous Session | Next Session >>