TY  - RPRT
TI  - Machine-Learned Force Field for Molecular Dynamics Simulations of Nonequilibrium Ammonia Synthesis on Iron Catalysts
AU  - Lele, Aditya Dilip [Princeton Univ., NJ (United States)] (ORCID:0000000215581560)
AU  - Shi, Zhiyu [Princeton Univ., NJ (United States)]
AU  - Khetan, Shrey [Princeton Univ., NJ (United States)]
AU  - Carter, Emily A. [Princeton Univ., NJ (United States); Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000173307554)
AU  - Martirez, John Mark P. [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000305666605)
AU  - Ju, Yiguang [Princeton Univ., NJ (United States); Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)]
PY  - 2025
DO  - 10.1021/acs.jpcc.4c07596
UR  - https://www.osti.gov/biblio/2526601
ID  - 2526601
ER  -