In this talk, we will reviews our recent progress in the theoretical modeling of excitation energy transfer (EET) processes in natural light harvesting complexes.  We will introduce the recently developed partial linearized path-integral (PLPI) method, which can accurately simulate exciton transfer dynamics across multiple reaction regimes, as well as reliably describe the electronic coherence among excitonic states. Combined with a recently developed chromophore-protein interaction model that incorporates both accurate ab initio descriptions of intra-complex vibrations and chromophore-protein interactions treated with atomistic detail, these simulation tools are beginning to unravel the detailed EET pathways and relaxation dynamics in light harvesting complexes. We then further apply this method to explore the coupled exciton and charge transfer dynamics in the reaction center of photosystem II.

Understanding the quantum dynamics of photosynthetic energy transfer with realistic environment interactions

253rd National Meeting (2017)

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