Predicting, Interpreting, and Quantifying Chemical Phenomena
Our research concentrates on developing new theoretical, computational, and conceptual methods for understanding, predicting, interpreting, and quantifying chemical phenomena. Of particular interest are methods for modeling large and complex catalytic systems, whether they be enzymes, complex materials, or large molecules. Understanding how such catalysts work is part of the goal, but a more sweeping objective is to actually be able to predict the products of chemical reactions.
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