Breadcrumb
- Home
- Publications
- Proceedings
- 2014 AIChE Annual Meeting
- Catalysis and Reaction Engineering Division
- Computational Catalysis I: DFT + Monte Carlo, Molecular Dynamics, Explicit and/or Implicit Solvation, and/or Empirical Modeling
2014 AIChE Annual Meeting
Session: Computational Catalysis I: DFT + Monte Carlo, Molecular Dynamics, Explicit and/or Implicit Solvation, and/or Empirical Modeling
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.
Chair
Rachel B. Getman, Clemson University
Co-Chair
Jean-Sabin McEwen, Washington State University