600 S. Mathews Ave.
Urbana, IL 61801
phone: (217) 333-6589
We strive to advance theoretical understanding of quantum mechanical processes in large molecules and the condensed phase. Full solution of the Schrödinger equation is feasible only for small molecules, as the required numerical effort increases exponentially with the number of particles. We develop new theoretical approaches and simulation methods based on Feynman’s path integral formulation of quantum dynamics and its semiclassical limit.
- Theoretical quantum dynamics of large molecules and condensed phase systems
- Charge transfer reactions
- Quantum control of nanostructures