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Welcome

Group News and Highlights

Our research centers on the development and application of theoretical and computational methods for describing chemical reactions in condensed phases and at interfaces. Research is pursued in three general areas: proton-coupled electron transfer reactions, enzymatic processes, and non-Born-Oppenheimer electronic structure methods. Our overall objectives are to elucidate the fundamental physical principles underlying charge transfer processes and catalysis, as well as to assist in the interpretation of experimental data.

We are moving to Yale University on January 1st, 2018. Professor Hammes-Schiffer’s Yale Faculty page can be found here.