Deep Density: Circumventing the Kohn-Sham equations via symmetry preserving neural networks
Leonardo Zepeda-Núñez, Yixiao Chen, Jiefu Zhang, Weile Jia, Linfeng Zhang, Lin Lin
Topics & Concepts
Kohn–Sham equationsArtificial neural networkDensity functional theoryTranslational symmetryLocalityStatistical physicsElectron densityTopology (electrical circuits)Leverage (statistics)Computer sciencePhysicsQuantum mechanicsMathematicsArtificial intelligenceElectronCondensed matter physicsCombinatoricsLinguisticsPhilosophyMachine Learning in Materials ScienceElectronic and Structural Properties of OxidesAdvanced Chemical Physics Studies