My research area is computational and theoretical chemistry. We focus on electronic structure theory, as well as efficient algorithms and software for using electronic structure methods to simulate chemistry on computers. Specific topics include density functional theory, wave function theory for strong correlations in ground and excited states, and analysis of intra- and inter-molecular interactions. We also work on applications of quantum chemistry to chemical problems including heterogeneous and homogeneous catalytic reaction mechanisms, and novel bonding and manifestations of strong correlation in molecules and molecular complexes.

Awards and Achievements

  • National Academy of Science
  • American Academy of Arts and Sciences
  • American Chemical Society Fellow
  • International Academy of Quantum Molecular Sciences