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
Topics & Concepts
Field (mathematics)Metal-organic frameworkComputer scienceMaterials scienceNanotechnologyChemistryPure mathematicsAdsorptionOrganic chemistryMathematicsMetal-Organic Frameworks: Synthesis and ApplicationsCarbon Dioxide Capture TechnologiesPhase Equilibria and Thermodynamics