Computational / Theoretical
Penn State has a long tradition of strong theory and computational chemistry. Currently the research efforts span a range of expertise in basic theory, electronic structure calculations, and mesoscale modeling and cover most of the sub-disciplines within the Chemistry Department. Several of the computational groups have collaborations with experimentalists at Penn State. The Institute for Computational Science offers a Graduate Minor in high performance computing applications.
| Name | Research Topic |
|---|---|
| Anderson, James |
Quantum Monte Carlo, Reaction Kinetics, Molecular Dynamics |
| Garrison, Barbara |
Computer Modeling of Laser Ablation and keV Particle Bombardment |
| Green, Michael |
Biological, Inorganic, and Physical Chemistry |
| Hammes-Schiffer, Sharon |
Applications of Computers to Chemical Problems |
| Jensen, Lasse |
Molecular Plasmonics, Electronic Structure Theory. Computational Spectroscopy |
| Maroncelli, Mark |
Chemical Dynamics in Solution |
| Noid, William |
Statistical mechanics of unfolded proteins |
| Showalter, Scott |
