Research Interests:
Our research focuses on the theory and simulation of chemical systems to address problems at the interface of quantum mechanics and statistical mechanics, with applications ranging from chemistry and biology to geology and materials science. Our research frequently explores theories of hydrogen bonding, the interplay between structure and dynamics, systems with multiple time and length-scales, and quantum mechanical effects. Particular current interests include proton and electron transfer in materials and enzymatic systems, atmospheric isotope separation, and the control of catalytic chemical reactivity in heterogeneous environments.