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
McEwen, J. S., Washington State University
Co-Chairs
Gomes, J. S., University of California Berkeley
Stamatakis, M., University College London
Xin, H., Stanford University
Heyden, A., University of South Carolina
Celik, F. E., Rutgers, The State University of New Jersey