Our DOE proposal is funded! We'll be developing methods for modeling excited states in solution.

Christine is PI on a DOE proposal to collaborate with Tom Markland at Stanford and Aurora Clark at Washington State University on the "Development of Approaches to Model Excited State Charge and Energy Transfer in Solution." Our proposed will bring together excited state electronic structure methodology in both the linear response and time domains, quantum dynamics on both ground and excited states, and solvation network analysis techniques. Theoretical developments in the field of solution phase reactivity will be combined to create a highly scalable computational approach that accurately and efficiently computes the electronic structure of the ground and excited states with GPU acceleration, and treats the dynamics of electrons, protons, and excitons on (and between) these states in the presence of solvent fluctuations occurring over a range of time-scales.