The Department of Chemistry at the University of Illinois
Theoretical Chemistry Faculty
| 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. |
| So Hirata | electronic and vibrational many-body theory for molecules, polymers, and solids; computer algebra for quantum chemistry |
| 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 |
Other Faculty with Interests in Theoretical Chemistry Include:
| Philip W. Phillips | Klaus J. Schulten |
| Kenneth S. Schweizer |
