Effectively improving the accuracy of PBE functional in calculating the solid band gap via machine learning
Zhongyu Wan, Quan‐De Wang, Dongchang Liu, Jinhu Liang
Topics & Concepts
Band gapDensity functional theoryHybrid functionalComputer scienceArtificial neural networkRange (aeronautics)SemiconductorMachine learningAlgorithmStatistical physicsArtificial intelligenceComputational physicsComputational chemistryMaterials sciencePhysicsChemistryOptoelectronicsComposite materialMachine Learning in Materials Science2D Materials and ApplicationsInorganic Chemistry and Materials