2015 AIChE Annual Meeting Proceedings
Session: Computational Catalysis I
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
Jean-Sabin McEwen, Washington State University
Co-Chairs
Joseph S. Gomes, University of California Berkeley
Michail Stamatakis, University College London
Hongliang Xin, Stanford University
Andreas Heyden, University of South Carolina
Fuat E. Celik, Rutgers, The State University of New Jersey