REACTER: A Heuristic Method for Reactive Molecular Dynamics
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DOI: 10.1021/acs.macromol.0c02012
Abstract: REACTER is a heuristic protocol that allows complex, predefined reactions to be modeled in atomistic, fixed-valence molecular dynamics (MD) simulations. The method is applicable to a broad range of... read more here.
Keywords: reactive molecular; molecular dynamics; heuristic method; method reactive ... See more keywords