DOE OSTI · 2581818
Implementing reactivity in molecular dynamics simulations with harmonic force fields
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Winetrout, Jordan, Kanhaiya, Krishan (ORCID:0000000236222655), Kemppainen, Joshua, in ‘t Veld, Pieter, Sachdeva, Geeta, Pandey, Ravindra, Damirchi, Behzad, van Duin, Adri (ORCID:0000000234784945), Odegard, Gregory (ORCID:0000000175776565), Heinz, Hendrik (ORCID:0000000267767404). 2024-09-11. Implementing reactivity in molecular dynamics simulations with harmonic force fields. https://doi.org/10.1038/s41467-024-50793-0
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