Research Interests

As a theorist, I try to understand what makes chemical reactions go. As the reactants evolve into products, how do the atoms move, what energetic constraints operate, and are there any steric requirements? Currently the systems we study are larger than before, and we are able to explore further away from equilibrium, such as chemistry under extreme conditions. We are also able to take into account inherently quantum mechanical features such as when processes occur simultaneously on several electronic states. Research methods include molecular dynamics simulations and quantum mechanical methods. Often I seek a more compact description and examine more abstract issues. For this, methodologies based on information theory and on algebraic quantum mechanics are useful, as well as models that emphasize key aspects of the problem and allow for a simple conceptual picture of the dynamics as much as exact numerical simulations.

Membership Type

International Member

Election Year


Primary Section

Section 14: Chemistry