Andreas Heyden, May 12, 2015

Theoretical Chemistry Colloquium

May 12, 2015 (Thu), 16:00-17:00

Noyori Materials Science Laboratory, 2nd floor, Chemistry Gallery



Prof. Dr. Andreas Heyden
Associate Professor of Chemical Engineering
University of South Carolina, Columbia, SC, USA


Abstract: In the last ~15 years computational catalysis started to significantly impact catalysis research by providing a new tool for testing experimental hypotheses and by screening a large number of materials in silico. In this seminar, I will present two case studies illustrating the strengths and challenges of computational catalysis. For these topics, I will highlight the importance of solvent effects in catalysis and present recent tools for including solvation effects in computational studies.

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