120 Computational Catalysis I: DFT + Monte Carlo, Molecular Dynamics, Explicit and/or Implicit Solvation, and/or Empirical Modeling

Monday, November 17, 2014: 12:30 PM
307 (Hilton Atlanta)
This session focuses on the use of computational methods such as quantum chemistry, Monte Carlo methods, molecular dynamics and microkinetic modeling in catalysis applications for the production of energy, including the chemical, electrochemical, and photochemical conversion of different feedstocks into fuels, and fuel cell catalysis.

Catalysis and Reaction Engineering Division
Computational Molecular Science and Engineering Forum (21), Low Pressure (01G)

Rachel B. Getman
Email: rgetman@clemson.edu

Jean-Sabin McEwen
Email: js.mcewen@wsu.edu

See more of this Group/Topical: Catalysis and Reaction Engineering Division