Tue, Apr. 26, 2022, 4:30pm
Host: Greg Scholes
New and Old Frontiers in the Theory of Electron Transfer
Electron transfer in solution and at interfaces is a key process in most energy conversion pathways and there is today an enormous need for predictive theoretical models within this crucial area of quantum and energy science. However, predicting rates and mechanisms of electron transfer remains difficult despite decades of progress in the fields of electronic structure, chemical dynamics, and statistical mechanics. In this talk, I will highlight some of the challenges that have been overcome over the last few years and I will point out the obstacles that remain (theoretical and computational) as far as developing a robust set of theoretical tools that can be applied in practice.