Recent progress on discovery and properties prediction of energy materials: Simple machine learning meets complex quantum chemistry
Yongqiang Kang, Lejing Li, Baohua Li
Topics & Concepts
Simple (philosophy)Computer scienceFidelityField (mathematics)Property (philosophy)Electronic structureEnergy (signal processing)Statistical physicsAlgorithmTheoretical computer scienceChemistryPhysicsMathematicsComputational chemistryQuantum mechanicsEpistemologyPhilosophyPure mathematicsTelecommunicationsMachine Learning in Materials ScienceComputational Drug Discovery MethodsCO2 Reduction Techniques and Catalysts