Targeted metal–organic framework discovery goes digital: machine learning’s quest from algorithms to atom arrangements
Maryam Chafiq, Abdelkarim Chaouiki, Young Gun Ko
Topics & Concepts
Atom (system on chip)Computer scienceAlgorithmArtificial intelligenceMachine learningNanotechnologyChemistryMaterials scienceParallel computingMetal-Organic Frameworks: Synthesis and ApplicationsMachine Learning in Materials ScienceComputational Drug Discovery Methods