@misc{indiciae0dc6e07112a3, title = {Machine-Learned Force Field for Molecular Dynamics Simulations of Nonequilibrium Ammonia Synthesis on Iron Catalysts}, author = {Lele, Aditya Dilip [Princeton Univ., NJ (United States)] (ORCID:0000000215581560) and Shi, Zhiyu [Princeton Univ., NJ (United States)] and Khetan, Shrey [Princeton Univ., NJ (United States)] and Carter, Emily A. [Princeton Univ., NJ (United States); Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000173307554) and Martirez, John Mark P. [Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)] (ORCID:0000000305666605) and Ju, Yiguang [Princeton Univ., NJ (United States); Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States)]}, year = {2025}, doi = {10.1021/acs.jpcc.4c07596}, url = {https://www.osti.gov/biblio/2526601}, note = {Source identifier: 2526601} }