I have mentored high school students, undergraduate student researchers, in addition to graduate students and postdocs, in carrying out molecular dynamics simulations. Many of the projects have explored the dynamics of proteins, the molecular machines of the cell.
My current research interests include theoretical and computational studies of energy flow in molecules, particularly in biological systems, and its influence on chemical reaction kinetics and thermal transport. Other research interests include theoretical approaches to address thermal conduction in nanoscale systems, and computational studies of terahertz spectroscopy and dynamics of solvated biomolecules.