2016 AIChE Annual Meeting
Session: Computational Catalysis II: Electrocatalysis and Photocatalysis
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
Xin, H., Virginia Tech
Co-Chair
Liu, B., Kansas State University