Machine Learning Interatomic Potentials for Modeling Framework Flexibility and Water Uptake in NbOFFIVE-1-Ni Metal–Organic Framework

X. Wang, X. Wang, X. Zhang, Z. Li, J. Liu, F. Joodaki, K. Shi, F. Formalik, O. K. Farha, D. Kohen, R. Q. Snurr, Machine Learning Interatomic Potentials for Modeling Framework Flexibility and Water Uptake in NbOFFIVE-1-Ni Metal–Organic Framework, J. Phys. Chem. C, 2026, 130, 2833–2846. DOI: 10.1021/acs.jpcc.6c00023