TY - RPRT TI - Machine Learning Interatomic Potentials for Modeling Framework Flexibility and Water Uptake in NbOFFIVE-1-Ni Metal–Organic Framework AU - Wang, Xijun [Northwestern Univ., Evanston, IL (United States)] AU - Wang, Xiaoliang [Northwestern Univ., Evanston, IL (United States)] (ORCID:0000000265011136) AU - Zhang, Xiaoyi [Northwestern Univ., Evanston, IL (United States)] (ORCID:0009000042787743) AU - Li, Zhao [Northwestern Univ., Evanston, IL (United States)] (ORCID:0000000150354614) AU - Liu, Jiayang [Northwestern Univ., Evanston, IL (United States)] AU - Joodaki, Faramarz [Northwestern Univ., Evanston, IL (United States)] (ORCID:0000000325928246) AU - Shi, Kaihang [Northwestern Univ., Evanston, IL (United States); State Univ. of New York (SUNY), Buffalo, NY (United States)] (ORCID:0000000202971746) AU - Formalik, Filip [Northwestern Univ., Evanston, IL (United States); Wroclaw Univ. of Science and Technology (Poland)] (ORCID:0000000339813298) AU - Farha, Omar K. [Northwestern Univ., Evanston, IL (United States)] (ORCID:0000000299049845) AU - Kohen, Daniela [Carleton College, Northfield, MN (United States)] (ORCID:0000000179001660) AU - Snurr, Randall Q. [Northwestern Univ., Evanston, IL (United States)] (ORCID:0000000329259246) PY - 2026 DO - 10.1021/acs.jpcc.6c00023 UR - https://www.osti.gov/biblio/3374182 ID - 3374182 ER -