Graph representation-based machine learning framework for predicting electronic band structures of quantum-confined nanostructures
Zifeng Wang, Shizhuo Ye, Hao Wang, Qijun Huang, Jin He, Sheng Chang
Topics & Concepts
Electronic structureElectronic band structureHamiltonian (control theory)NanostructureGraphComputer scienceMaterials scienceQuantumRepresentation (politics)Artificial intelligenceNanotechnologyTheoretical computer scienceMathematicsPhysicsQuantum mechanicsLawPoliticsMathematical optimizationPolitical scienceMachine Learning in Materials ScienceGraphene research and applicationsFuel Cells and Related Materials