NEXMD Software Package for Non-adiabatic Excited State Molecular Dynamics Simulations.
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DOI: 10.1021/acs.jctc.0c00248
Abstract: We present a versatile new code released for open community use, the Non-adiabatic EXcited-state Molecular Dynamics (NEXMD) package. This software aims to simulate nonadiabatic excited state molecular dynamics using several semiempirical Hamiltonian models. To model… read more here.
Keywords: state; package; excited state; molecular dynamics ... See more keywords