Excited state processes in condensed phase: dephasing, dissipation, light harvesting and photochemistry

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David Coker of Boston University is supported by an award from the Theoretical and Computational Chemistry program to study excited state dynamics in condensed phase systems. Using the iterative linear approach to coherent propagation of reduced density matrices, the PI and his research group are 1) modeling exciton dynamics in multi-chromophore light harvesting systems, 2) exploring vibrational dephasing and relaxation of molecules in driven environments and 3) studying mixed quantum-classical subsystems embedded in larger multi-scale environments. In collaboration with experimentalists, they are also studying the efficacy of excited state proton transfer for activating organic molecules.This research has the potential for broad impact in several areas of scientific and societal importance including solar energy technology, quantum information science and highly selective organic synthesis.