Structural constraint integration in a generative model for the discovery of quantum materials
Ryotaro Okabe, Mouyang Cheng, Abhijatmedhi Chotrattanapituk, Manasi Mandal, K. L. Mak, Denisse Córdova Carrizales, Nguyen Tuan Hung, Xiang Fu, Bowen Han, Yao Wang, Weiwei Xie, Robert J. Cava, Tommi Jaakkola, Yongqiang Cheng, Mingda Li
Topics & Concepts
Computer scienceQuantumScalabilityGenerative grammarConstraint (computer-aided design)Density functional theoryTheoretical computer scienceStructural stabilityStability (learning theory)Lattice (music)Path (computing)Generative modelAlgorithmMultiscale modelingQuantum cellular automatonStatistical physicsGraphArtificial neural networkConvergence (economics)Quantum computerGraph theoryTopology (electrical circuits)Materials scienceDiamagnetismClassifier (UML)HoneycombMachine Learning in Materials ScienceAdvanced Condensed Matter PhysicsCatalysis and Oxidation Reactions