TY - RPRT TI - Implementing reactivity in molecular dynamics simulations with harmonic force fields AU - Winetrout, Jordan AU - Kanhaiya, Krishan (ORCID:0000000236222655) AU - Kemppainen, Joshua AU - in ‘t Veld, Pieter AU - Sachdeva, Geeta AU - Pandey, Ravindra AU - Damirchi, Behzad AU - van Duin, Adri (ORCID:0000000234784945) AU - Odegard, Gregory (ORCID:0000000175776565) AU - Heinz, Hendrik (ORCID:0000000267767404) PY - 2024 DO - 10.1038/s41467-024-50793-0 UR - https://www.osti.gov/biblio/2581818 ID - 2581818 ER -