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.
- Anderson, J. B. Quantum Monte Carlo, Reaction Kinetics, Molecular Dynamics
- Garrison, B. J. Computer Modeling of Laser Ablation and keV Particle Bombardment
- Green, M. T. Biological, Inorganic, and Physical Chemistry
- Hammes-Schiffer, S. Applications of Computers to Chemical Problems
- Jensen, L. Molecular Plasmonics, Electronic Structure Theory. Computational Spectroscopy
- Maroncelli, M. Chemical Dynamics in Solution
- Noid, W. G. Statistical mechanics of unfolded proteins
- Showalter, S. A.
Related Areas
| Analytical: | Green |
|
| Biological: | Allcock Ewing Keating Sheets Showalter Weiss Winograd Williams | |
| Environmental: | ||
| Inorganic: | Green Hammes-Schiffer | |
| Materials / Nanoscience: | Anderson Garrison Hammes-Schiffer | |
| Organic: | Anderson Hammes-Schiffer | |
| Physical: | Anderson Garrison Green Hammes-Schiffer Jensen Maroncelli Noid |