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April

Seminar

Ab initio free energy calculations for adsorption and reactions in nanoporous systems

Wednesday, April 26, 2017, 4:00 PM - 5:00 PM
Joachim Sauer, Professor of Chemistry, Humboldt University Berlin

The ab initio prediction of reaction rate or equilibrium constants for systems with hundreds of atoms with an accuracy that is comparable to experiment is a challenge for computational quantum chemistry. We present a divide-and-conquer strategy that more  »

May

Seminar

Teaching old proteins new tricks: Engineering metalloenzymes for energy conversion reactions

Wednesday, May 3, 2017, 4:00 PM - 5:00 PM
Hannah Shafaat, Ohio State University

The impending energy crisis is one of the biggest challenges that scientists of today face. At the root of this problem lie the dual issues of limited fossil fuel supplies and rising CO2 levels, both of which threaten severe ecological damage. On a m more  »