Quantum chemistry assisted by machine learning
Pavlo O. Dral
Topics & Concepts
Computer scienceQuantum machine learningMachine learningArtificial intelligenceQuantum chemicalQuantumPoint (geometry)Kernel (algebra)A priori and a posterioriOutlierSampling (signal processing)Computational learning theoryAlgorithmActive learning (machine learning)MathematicsQuantum algorithmQuantum mechanicsPhysicsMoleculeFilter (signal processing)GeometryEpistemologyComputer visionPhilosophyCombinatoricsMachine Learning in Materials ScienceComputational Drug Discovery MethodsSpectroscopy and Quantum Chemical Studies