The IMD Lab is interested in combining theoretical, computational, and experimental methods to discover new materials. In particular, we specilize in using chemistry theories to drive the discovery of energy materials, molecular drugs, and polymeric materials.

For this purpose, we develop new theoretical and computational chemistry methods to study the fundamental physical chemistry processes such as energy transfer, nonlinear optics, catalysis, and to seek new materials using inverse molecular design. Currently, we are applying our methods to seek new biomass catalysts and to understand polymer interactions in soft nanostructures and biophysics.