Electron flow matching for generative reaction mechanism prediction
Joonyoung F. Joung, Mun Hong Fong, Nicholas Casetti, Jordan P. Liles, Ne S. Dassanayake, Connor W. Coley
Topics & Concepts
Generative grammarMechanism (biology)Matching (statistics)Flow (mathematics)Computer scienceChemistryBiological systemArtificial intelligenceMathematicsMechanicsPhysicsBiologyStatisticsPhilosophyEpistemologyMachine Learning in Materials ScienceElectrocatalysts for Energy ConversionAdvanced Chemical Physics Studies