Physics Colloquium – Eitan Geva

Combining Quantum Master Equations with Linearized Semiclassical Methods to Simulate Electronic Energy & Charge Transfer Dynamics in Complex Molecular Systems

Professor Eitan Geva, Department of Chemistry
University of Michigan – Ann Arbor

Photo-induced electronic energy and charge transfer plays a key role in a variety of chemical, biological and technologically-important molecular systems. The simulation of the
underlying electronic dynamics is challenging due to its intrinsically quantum mechanical nature and the large number of coupled electronic and nuclear degrees of freedom involved. Quantum master equations provide a flexible and general-purpose framework for addressing this challenge.

In this talk, I will overview computational approaches for simulating photo-induced electronic energy and charge transfer dynamics in complex molecular systems that were developed and explored by my group, which combine various types of quantum master equations with linearized semiclassical methods.