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Roger Rousseau


Roger Rousseau

Pacific Northwest National Laboratory, USA

Biography

Roger Rousseau is awarded PhD in Inorganic Chemistry from The University of Michigan, USA in the 1995.  He holds a Master Degree in Inorganic Chemistry from The University of Michigan, USA in the 1994, followed by a Bachelor’s Degree in Chemistry from University of Windsor, Canada in the 1991. Currently, he is working as a Senior Staff Scientist for Pacific Northwest National Laboratory, Richland, Washington.  His research interests are focused on the application of quantum mechanical methods in simulations of the properties and reactivity of molecules, solids, and surfaces of relevance to catalysis for energy applications. Currently, Dr. Rousseau is working on the application and development of ab initio molecular dynamics methods to the study of heterogeneous and homogeneous catalysis reaction mechanisms. This includes participation in the Center on Molecular Electrocatalysis, an Energy Frontier Research Center, and PNNL's Institute for Integrated Catalysis.

Abstract

Abstract : The role of anharmonicity in the confinement effect in zeolites: structure, spectroscopy and adsorption free energy of ethanol in h-zsm-5