Session: Multiscale and Molecular Modeling for Renewable Energy Systems (2012 Annual Meeting)

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
Assistant Professor
University of Washington
Chemical Engineering
Seattle, WA 98195
Fax Number: 206-685-0666
Email: jpfaendt@uw.edu

Co-Chair:

Jhih-Wei Chu
Assistant Professor
University of California, Berkeley
Chemical Engineering
101A Gilman
Berkeley, CA 94720
Fax Number: 510-642-4778
Email: jwchu@berkeley.edu

Papers:

574a

Morphological Studies of Conjugated Polymer Based Materials Using Coarse-Grained Molecular Simulations [Invited Talk]
Arthi Jayaraman, University of Colorado, Boulder

574b

Theoretical Calculations On Fullerene Derivatives
Varuni Dantanarayana, UC Davis; Adam J. Moulé, University of California, Davis; Roland Faller, UC Davis

574c

Heat Transfer Characteristics of a Nanofluid within a Heated Lid-Driven Cavity Using Multiscale Modeling Techniques
John Shelton, Carnegie Mellon University/National Energy Technology Laboratory; C. F. Higgs III, Carnegie Mellon University

574d

Identification of Molecular-Level Contributions to Processivity in Glycoside Hydrolases From Computational and Experimental Studies of Serratia Marcescens Chitinases
Christina M. Payne, National Renewable Energy Laboratory; Erik Kuhn, National Renewable Energy Laboratory; Gustav Vaaje-Kolstad, Norwegian University of Life Sciences; Vincent Eijsink, Norwegian University of Life Sciences; Morten Sørlie, Norwegian University of Life Sciences; Gregg T. Beckham, National Renewable Energy Laboratory

574e

Multiscale Modeling of Cellulose Unzipping in Ionic Liquids
Brooks D. Rabideau, RWTH Aachen University; Cesar Ojeda, RWTH Aachen University; Ahmed E. Ismail, RWTH Aachen University

574f

Adsorption of Model Peptides and the Carbohydrate Binding Module: An Enhanced Sampling Molecular Dynamics Study
Michael Deighan, University of Washington; Peter Englund, University of Washington; Jim Pfaendtner, University of Washington

574g

Free Energy of Desorption of Cello-Oligosaccharides From a Cellulose Crystal Surface
Lakshmi Muthukumar, Texas Tech University; Rajesh Khare, Texas Tech University

See more of this Group/Topical: Computational Molecular Science and Engineering Forum

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