Research in the Thompson Group
Theoretical Chemical Dynamics
Our research focuses on the development and application of theoretical methods for describing reaction dynamics, energy transfer, and spectroscopy in condensed phase systems. The emphasis is on understanding at a molecular level the fundamental behavior of interesting chemical systems and phenomena. The goal of our work is to develop accurate theoretical and computational approaches that can be feasibly applied to complex chemical problems including reactions in liquids and nanostructured environments. Additional details about some of the specific problems we are addressing are outlined below.
- Direct Calculation of Activation Energies and Volumes
- Liquids Confined in Nanoscale Pores
- Simulations of Vibrational Spectra of Liquids
- Dynamics of Supramolecular Assemblies
- Reaction Mechanisms
Acknowledgements
Support for our research is currently provided by the National Science Foundation and the Department of Energy, including through collaborations with Sandia National Lab (NM) and the Notre Dame Radiation Lab.