390229 First-Principles Based Kinetic Monte Carlo Simulation of Catalytic Systems over Metal Particles

Monday, November 17, 2014: 12:50 PM
307 (Hilton Atlanta)
Eric Dybeck, Department of Chemical Engineering, University of Virginia, Charlottesville, VA and Matthew Neurock, Departments of Chemical Engineering and Chemistry, University of Virginia, Charlottesville, VA

Abstracts:


Extended Abstract: File Uploaded
See more of this Session: Computational Catalysis I: DFT + Monte Carlo, Molecular Dynamics, Explicit and/or Implicit Solvation, and/or Empirical Modeling
See more of this Group/Topical: Catalysis and Reaction Engineering Division