2015 AIChE Annual Meeting Proceedings
Session: Computational Catalysis II
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
Joseph Gomes, Chevron
Co-Chair
John Keith, University of Pittsburgh