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physics.chem-ph2026★ 1 cited
sbml4md: A computational platform for System-Bath Modeling via Molecular Dynamics powered by Machine Learning
Kwanghee Park, Seiji Ueno, Yoshitaka Tanimura
We introduce sbml4md, a newly developed algorithm implemented as a software package to extract parameters of multimode anharmonic Brownian (MAB) models from molecular dynamics (MD)…
physics.chem-ph2021★ 3 cited
Modeling and simulating the excited-state dynamics of a system with condensed phases: A machine learning approach
Seiji Ueno, Yoshitaka Tanimura
Simulating the irreversible quantum dynamics of exciton and electron transfer problems poses a nontrivial challenge. Because the irreversibility of the system dynamics is a result…