Fig. 7. Time evolution of the exciton population for BChl 1 (red) and BChl 2 (blue) in the FMO complex calculated from excited state energy trajectories and average spectral densities using the Redfield method. The initial state is site 1 excited. Panel (A) shows the exciton dynamics for neural network predicted excited state energies using the same TDDFT calculated average spectral density in all cases. Panel (B) shows the exciton dynamics with both, excited state energy trajectories and harmonic average spectral densities predicted by neural networks trained with the indicated selection method.
