TY  - RPRT
TI  - Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data Augmentation
AU  - dos Santos, Luan G. F. [Texas Tech Univ., Lubbock, TX (United States)] (ORCID:000000025979148X)
AU  - Nebgen, Benjamin Tyler [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000153103263)
AU  - Allen, Alice Elizabeth Anastasia [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000287278333)
AU  - Hamilton, Brenden William [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000245242201)
AU  - Matin, Sakib [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000151662838)
AU  - Smith, Justin S. [NVIDIA Corporation, Santa Clara, CA (United States)] (ORCID:0000000173147896)
AU  - 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)
PY  - 2025
DO  - 10.1021/acs.jcim.4c01847
UR  - https://www.osti.gov/biblio/2538113
ID  - 2538113
ER  -