RESEARCH PAPER · RSC Advances · 2024
Physics of band-filling correction in defect calculations of solid-state materials
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Unveiling defect physics in gapped metals: a theoretical investigation into defect formation and electronic structure interplay
Journal of Materials Informatics · 2025-03-03
Harshan Reddy Gopidi, Lovelesh Vashist, Oleksandr I. Malyi
Read original paper ↗ ·Machine Learning Prediction of Charged Defect Formation Energies from Crystal Structures
Materia Japan · 2025-07-31
Yu Kumagai
Read original paper ↗ ·Machine-Learning Prediction of Charged-Defect Formation Energies from Crystal Structures
Physical Review Letters · 2025-11-20
Shin Kiyohara, Chisa Shibui, Soungmin Bae, Yu Kumagai
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