Computational Molecular Science and Engineering Forum | |||
| Session 553 - Molecular Modeling of Fuel Cells and Electrochemical Systems II | |||
| TBA | |||
| Chair: | Perla B. Balbuena | ||
| CoChair: | Dean Wheeler | ||
| CoSponsor(s): | Energy Conversion Topical C: Fuel Cells and Alternative Fuel Systems | ||
| 553a | Molecular Dynamics Simulations of Proton Solvation and Transport in Polymer Electrolyte Membranes Matthew K. Petersen, Gregory A. Voth | ||
| 553b | Molecular Studies of the Structural Properties of Hydrogen Gas in Liquid Water Dubravko Sabo, Susan B. Rempe, Jeffery A. Greathouse, Marcus G. Martin | ||
| 553c | Lithium Transport in Binary and Single Ion Conductor Liquid, Gel and Polymer Electrolytes Oleg Borodin, Grant D. Smith | ||
| 553d | Simulating the Electrochemical Double Layer Using Charge Dynamics Dean Wheeler, Clint Guymon | ||
| 553e | Theoretical Investigations of Modified Active Site Models for Fe-Only Hydrogenases Yuguang Ma, Perla B. Balbuena | ||
| 553f | Multi-Paradigm Simulations toward the Design of Improved Fuel Cell Catalysts and Membranes William A. Goddard III, Boris Merinov, Seung Soon Jang, Wei Qiao Deng, Adri C. Van Duin, Gerald Voecks | ||
| 553g | A Molecular Dynamics Study of Nafion Polyelectrolyte Membrane and the Aqueous Phase Structure for Proton Transport S. T. Cui, Junwu Liu, Myvizhi E. Selvan, David J. Keffer, Brian J. Edwards, William V. Steele | ||
| 553h | Molecular Dynamics Study on Hydrated Water-Soluble Dendrimer-Grafted Polymer Membrane for Pemfc Seung Soon Jang, William A. Goddard III | ||
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