Vacancy formation energy and its connection with bonding environment in solid: A high-throughput calculation and machine learning study
YingXing Cheng, Linggang Zhu, Guanjie Wang, Jian Zhou, Stephen R. Elliott, Zhimei Sun
Topics & Concepts
ThroughputConnection (principal bundle)Vacancy defectMaterials scienceEnergy (signal processing)Computer scienceChemical physicsChemistryPhysicsCrystallographyMechanical engineeringEngineeringTelecommunicationsWirelessQuantum mechanicsMachine Learning in Materials ScienceElectronic Packaging and Soldering TechnologiesX-ray Diffraction in Crystallography