Hi everyone, Tomorrow Sam will be giving us group meeting. Please see below for the title and abstract of his talk. Cheers, Jennifer -------------------------------------- Modeling Exciton Dynamics in Biliproteins and Simple Dimers Exciton dynamics of two phycobiliproteins are examined using spectral densities obtained from preliminary QM/MM results and the hierarchical equations of motion (HEOM). We observe that the lowest frequency peak in the spectral density has by far the largest impact on the coherence lifetimes. Cutting down to this single peak allows us to go deep in the hierarchy, at which point coherences are dramatically reduced. This prompted us to examine a simple dimer over a parameter space spanned by more than 150,000 HEOM simulations. A number of interesting trends found in this massive data set are presented. _______________________________________________ Aspuru-meetings-list mailing list Aspuru-meetings-list(a)lists.fas.harvard.edu https://lists.fas.harvard.edu/mailman/listinfo/aspuru-meetings-list