Implementing reactivity in molecular dynamics simulations with harmonic force fields

Authors: Jordan J. Winetrout, Krishan Kanhaiya, Joshua Kemppainen, Pieter J. in ‘t Veld, Geeta Sachdeva, Ravindra Pandey, Behzad Damirchi, Adri van Duin, Gregory M. Odegard, Hendrik Heinz

Published: 2024-09-11

DOI: 10.1038/s41467-024-50793-0

Source: Full article

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Abstract

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