Machine learning and density functional theory
Ryan Pederson, Bhupalee Kalita, Kieron Burke
Topics & Concepts
Artificial intelligenceMachine learningComputer scienceFunctional theoryHuman–machine systemDensity functional theoryComputational learning theoryCognitive scienceActive learning (machine learning)PsychologyPhysicsQuantum mechanicsMachine Learning in Materials ScienceComputational Drug Discovery MethodsCatalysis and Oxidation Reactions