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Accelerating CO2 direct air capture screening for metal-organic frameworks with a transferable machine learning force field

Yunsung Lim, Hyunsoo Park, Aron Walsh, Jihan Kim

2025Matter25 citationsDOI

Topics & Concepts

Field (mathematics)Metal-organic frameworkComputer scienceMaterials scienceNanotechnologyChemistryPure mathematicsAdsorptionOrganic chemistryMathematicsMetal-Organic Frameworks: Synthesis and ApplicationsCarbon Dioxide Capture TechnologiesPhase Equilibria and Thermodynamics
Accelerating CO2 direct air capture screening for metal-organic frameworks with a transferable machine learning force field | Litcius