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Data · dataset · 2015

Machine learning for exciton dynamics: Qy trajectories

Listed in DataCite

In this folder we report the data of our paper, recently posted on the arXiv.

Description

In particular we provide the energy gap trajectories for each BChl of monomer A of the Fenna-Matthews-Olson (FMO) complex. These were computed using QM/MM and TDDFT, and then they were predicted using multi layer perceptrons with different methods to select the training data ( Random, Correlation, Frobenius and Taxicab).

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Mathematics
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DataCite10.6084/m9.figshare.161114115 d agoJSON v1
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