Accelerating the structure search of catalysts with machine learning
Eric Musa, FRANCIS DOHERTY, Bryan R. Goldsmith
Topics & Concepts
CatalysisWorkflowDensity functional theoryComputer scienceProperty (philosophy)Materials scienceNanotechnologyArtificial intelligenceChemistryComputational chemistryDatabaseOrganic chemistryEpistemologyPhilosophyMachine Learning in Materials ScienceTopic ModelingCatalysis and Oxidation Reactions