Molecular Modeling 2

Tuesday, 3 October 2017: 08:20-09:40
National Harbor 4 (Gaylord National Resort and Convention Center)
Doping Amorphous Ti Oxides to Decrease Oxygen Reduction Rates
M. C. Groenenboom and J. A. Keith (University of Pittsburgh)
Reactive Molecular Dynamics Modeling of Iron Passivity
H. DorMohammad, Q. Pang, L. Árnadóttir, and O. B. Isgor (Oregon State University)
Atomistic Simulations of Lithium Ion Mobility in Battery Electrolytes
J. M. Sanders, S. H. Kwak, C. M. Krauter, J. Gavartin, S. Pandiyan, T. Morisato, A. R. Browning, and M. D. Halls (Schrödinger, Inc.)
Understanding and Tailoring the Performance of Transition Metal Oxides for the Oxygen Evolution Reaction
V. Tripkovic, H. A. Hansen, J. M. Garcia Lastra, and T. Vegge (Technical University of Denmark)