| PROFESSOR | INTERESTS |
|---|
| Thom H. Dunning, Jr. | development of techniques for the accurate solution of the electronic Schrödinger equation; the use of state-of-the-art computational approaches to understand and predict the structure, energetics and reactivity of molecules. |
| Zaida (Zan) Luthey-Schulten | statistical methods of protein folding - thermodynamics and kinetics; design of optimized energy functions for protein structure prediction; structural genomics of metabolic pathways. |
| Nancy Makri | theoretical quantum dynamics of large molecules and condensed phase systems, with applications to relaxation, charge transfer reactions, and quantum control of nanostructures |
| Todd J. Martínez | photochemistry, first principles molecular dynamics with quantum effects, multiresolution models of molecular interactions, metalloenzymes, photoactive proteins, photodamage and repair in DNA |
