Specifically, current research efforts are directed towards the fundamental understanding of hydrogen bonded and hydrogen transfer systems, and the detailed study of electron transport in molecular wire systems.

Keywords: Theoretical and Computational Chemistry and Chemical Physics


  • Study of rare events: hydrogen transfer reactions in biological enzymes and atmospheric systems
  • Vibrational spectroscopy and energy redistribution in hydrogen bonded systems
  • Non-equilibrium, open system dynamics and electron transport
  • Graph theoretic methods for dynamics of electrons and nuclei with post-Hartree-Fock accuracy
  • Quantum nuclear dynamics with tensor networks
  • Potential energy surfaces in arbitrary dimensions with information theoretic measures and graph theoretic methods for electronic structure

Subject areas:

  • Materials
  • Physical
  • Energy
  • Life


Physics, Chemistry
PhD, University of Houston, 1998
MS, University of Florida, Chemistry, 1994
MSc, Indian Institute of Technology Bombay, Chemistry, 1990
physical chemistry quantum chemistry molecular dynamics computational chemistry chemical kinetics & dynamics chemical physics computational physics

Camille and Henry Dreyfus New Faculty Award (2003), Camille and Henry Dreyfus Foundation