Theory-Guided Machine Learning Finds Geometric Structure-Property Relationships for Chemisorption on Subsurface Alloys
Jacques A. Esterhuizen, Bryan R. Goldsmith, Suljo Linic
Topics & Concepts
Property (philosophy)ChemisorptionNanotechnologyMaterials scienceComputer scienceArtificial intelligenceChemistryPhilosophyEpistemologyPhysical chemistryAdsorptionMachine Learning in Materials ScienceComputational Drug Discovery MethodsRadioactive element chemistry and processing