Simulating Energy Transfer and Storage in the Condensed Phase: From Photosynthesis to Batteries
Abstract: I will discuss recent advances in modeling coupled electronic and vibrational dynamics that govern energy flow in condensed-phase systems. I will first present all-state quantum dynamics simulations of excitation energy transfer in the bacterial light-harvesting complex (LH2), showing how its ~90% efficiency and ~1 ps timescale arise from its concentric pigment architecture and nuclear quantum effects.
