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Conducting precise electronic-vibrational dynamics simulations of molecularsystems poses significant challenges when dealing with an environment composedof numerous vibrational modes. Here, we introduce novel techniques for theconstruction of effective phonon spectral densities that capture accuratelyopen system dynamics over a finite time interval of interest. When combinedwith existing non-perturbative simulation tools, our approach can reducesignificantly the computational costs associated with many-body open systemdynamics.

Systematic coarse-graining of environments for the non-perturbative simulation of open quantum systems