John Tully

The objective of Dr. Tully’s research is to achieve a theoretical understanding at the molecular level of dynamical processes such as energy transfer and chemical reaction in the gas phase, at surfaces, in condensed-phases, and in biological environments. This entails both the development of novel theoretical and computational tools, as well as their application to exciting chemical problems, with direct coupling to experiments wherever possible. Current theoretical activities include mixed quantum-classical dynamics, nonadiabatic path integrals and constrained density functional theory for computing “diabatic” excited electronic states.