The Center for Integrative Materials Discovery is interested in developing new theoretical and computational chemistry methods, and then integrating them with experimental methods to discover novel chemical materials such as catalysts, molecular drugs, and polymer nanostructures.

We develop new theoretical and computational chemistry methods to study the fundamental physical chemistry such as energy transfer and catalysis. We apply our methods to seek new biomass catalysts, Leukemia cancer drugs, Parkinson disease drugs, drug-delivery polymers.