@misc{indiciaec9d8fd3ab2f5,
  title = {Including Physics-Informed Atomization Constraints in Neural Networks for Reactive Chemistry},
  author = {Zhang, Shuhao [Carnegie Mellon University, Pittsburgh, PA (United States)] (ORCID:0000000251741875) and Chigaev, Michael [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); University of California, Berkeley, CA (United States)] and Isayev, Olexandr [Carnegie Mellon University, Pittsburgh, PA (United States)] (ORCID:0000000175818497) and 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) and Lubbers, Nicholas Edward [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000290019973)},
  year = {2025},
  doi = {10.1021/acs.jcim.5c00341},
  url = {https://www.osti.gov/biblio/2563454},
  note = {Source identifier: 2563454}
}