most citedMachine Learning Potential for Modelling H Adsorption/Diffusion in MOF with Open Metal Sites

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cond-mat.mtrl-sci2023★ 1 cited

Machine Learning Potential for Modelling H Adsorption/Diffusion in MOF with Open Metal Sites

Shanping Liu, Romain Dupuis, Dong Fan +5

Metal-organic frameworks (MOFs) incorporating open metal sites (OMS) have been identified as promising sorbents for many societally relevant-adsorption applications including CO$_2…