Session 1

Wednesday, May 15, 2013: 08:20-17:00
Willow Ballroom East, Mezzanine Level (Sheraton)
08:20
1311
Polymeric and Composite Electrolyte Membranes: Insights from Multiscale Computational Modeling
James Elliott, University of Cambridge
09:00
1312
Quantum Modeling and Classical Simulations of Hydrogen-Bonded Oligomers: New Candidates for Proton Conduction
Scott Michael Auerbach, PhD, Department of Chemistry, UMass Amherst
09:40
Break
10:00
1313
Network Formation and Ion Conduction in Ionomer Membranes
Keith Promislow, Michigan State University; Andrew Christlieb, Michigan State University; Jaylan Jones, Michigan State University; Zhengfu Xu, Michigan Technological University; Nir Gavish, Technion University
10:40
1314
Multiscale Simulation of Proton Transport in PFSA Membranes
John Savage, B.Sc., M.S., The University of Chicago
11:20
1315
The Effects of Nanoconfinement and Hydrophobic Environment On Structural and Dynamical Properties of Water and Triflic Acid: An Ab Initio Study
Jeffrey K. Clark II, University of Tennessee, Knoxville; Stephen J. Paddison, University of Tennessee, Knoxville
11:40
Intermission
14:00
1316
Proton Transport in Aqueous and Non-Aqueous Media Studied by First-Principles Molecular Dynamics
Mark E. Tuckerman, B.S., M.S., Ph.D., New York University
14:40
Break
15:00
1317
Alignment of Electronic Energy Levels at Electrochemical Interfaces
Michiel Sprik, Department of Chemistry, University of Cambridge; Jun Cheng, Department of Chemistry, University of Cambridge
15:40
1318
Multiscale Computational Design of Aerospace Coatings Containing Corrosion Inhibitors
Ivan S. Cole, CSIRO Materials Science and Engineering; Erik Sapper, Boeing Research & Technology; Joseph Osborne, Boeing Research & Technology; Clement Chu, CSIRO Materials Science and Engineering; Penny Corrigan, CSIRO Materials Science and Engineering; Murali Sankar Venkatraman, CSIRO Materials Science and Engineering; Fiona Chen, CSIRO Materials Science and Engineering; Magdi F. Morks, CSIRO Materials Science and Engineering
16:20
1319
First-Principles Insights Into Oxygen Transport in Solid Oxide Fuel Cell Cathode Materials
Andrew Marc Ritzmann, Princeton University; Michele Pavone, “P. Corradini”, University of Napoli Federico II; Ana Belen Munoz-Garcia, “P. Corradini”, University of Napoli Federico II; Emily A. Carter, Princeton University
See more of: I2: Computational Chemistry
See more of: Physical and Analytical Electrochemistry
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