Hi all,
Today Sam will give group meeting today in the Div Room at 2:30. See below
for the title and abstract.
Best,
Ian
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Speaker: Sam Blau
Title: Atomistic Spectral Densities and Exciton Dynamics of Biliproteins
Abstract: We have run 50 picosecond QM/MM nuclear dynamics trajectories for
two biliproteins, PC645 and PC612. Tens of thousands of TDDFT calculations
have been performed, and their collective results are examined. We have
constructed spectral densities for PC645, and present dynamics
investigations to better understand the importance of the spectral density
fine-structure. Finally, explicit vibrations are incorporated into the
description of the quantum system, and the resulting dynamics are shown.
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