TY  - RPRT
TI  - Including Physics-Informed Atomization Constraints in Neural Networks for Reactive Chemistry
AU  - Zhang, Shuhao [Carnegie Mellon University, Pittsburgh, PA (United States)] (ORCID:0000000251741875)
AU  - Chigaev, Michael [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); University of California, Berkeley, CA (United States)]
AU  - Isayev, Olexandr [Carnegie Mellon University, Pittsburgh, PA (United States)] (ORCID:0000000175818497)
AU  - Messerly, Richard Alma [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000313214246)
AU  - Lubbers, Nicholas Edward [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000290019973)
PY  - 2025
DO  - 10.1021/acs.jcim.5c00341
UR  - https://www.osti.gov/biblio/2563454
ID  - 2563454
ER  -