Recent spectroscopic studies in light harvesting materials have suggested that their function arises from an interplay of quantum dynamics (e.g. delocalization) on the nanometer length scale and micron-scale material properties (e.g. crystal packing and grain boundaries). Current techniques for calculating excited-state dynamics in molecular aggregates with the correct balance of energy, entropy, and coherence scale poorly with system size. I will report the recent development of a formally exact framework appropriate for simulating mesoscale quantum dynamics. I will use examples from both model systems and large arrays of photosynthetic pigment protein complexes (10<sup>4</sup>pigments, 100 nm lengthscale) to discuss the general features of mesoscale quantum dynamics and how our technique allows for efficiently extracting mechanistic insights from large scale simulations. I will end by providing a brief perspective on simulating mesoscale quantum dynamics in crystalline materials.

Mesoscale quantum dynamics in light harvesting materials

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.