2016 AIChE Annual Meeting
Session: Computational Catalysis I: Fundamental Metal Catalysis
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
Stamatakis, M., University College London
Co-Chair
Xin, H., Virginia Tech