Computational Catalysis I: DFT + Monte Carlo, Molecular Dynamics, Explicit and/or Implicit Solvation, and/or Empirical Modeling
- Conference: AIChE Annual Meeting
- Year: 2014
- Proceeding: 2014 AIChE Annual Meeting
- Group:
- Type: Oral
- Room: 307
- Location: Hilton Atlanta
- Time: Monday, November 17, 2014 - 12:30pm-3:00pm
Chair(s):
Getman, R. B., Clemson University
Co-chair(s):
McEwen, J. S., Washington State University
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.
Papers:
Topics:
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Pricing
Individuals
AIChE Members | $150.00 |
AIChE Graduate Student Members | Free |
AIChE Undergraduate Student Members | Free |
Non-Members | $225.00 |