@misc{indiciaee1eb92ab8ed7, title = {Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data Augmentation}, author = {dos Santos, Luan G. F. [Texas Tech Univ., Lubbock, TX (United States)] (ORCID:000000025979148X) and Nebgen, Benjamin Tyler [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000153103263) and Allen, Alice Elizabeth Anastasia [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000287278333) and Hamilton, Brenden William [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000245242201) and Matin, Sakib [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000151662838) and Smith, Justin S. [NVIDIA Corporation, Santa Clara, CA (United States)] (ORCID:0000000173147896) and Messerly, Richard A. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000313214246)}, year = {2025}, doi = {10.1021/acs.jcim.4c01847}, url = {https://www.osti.gov/biblio/2538113}, note = {Source identifier: 2538113} }