Seán R. Kavanagh
- Imperfections are not 0 K: free energy of point defects in crystals
2023/01/01 by Irea Mosquera‐Lois, Seán R. Kavanagh, Johan Klarbring +2 · 1 voice · 11 citations
Materials Science · Engineering · #Machine Learning in Materials Science #Ion-surface interactions and analysis #Advanced Semiconductor Detectors and Materials
- Intrinsic point defect tolerance in selenium for indoor and tandem photovoltaics
2025/01/01 by Seán R. Kavanagh, Rasmus Nielsen, J. Lundsgaard Hansen +6 · 1 voice · 2 citations
Engineering · Environmental Science · #Silicon and Solar Cell Technologies #Photovoltaic Systems and Sustainability #Chalcogenide Semiconductor Thin Films
- Identifying Split Vacancy Defects with Machine-Learned Foundation Models and Electrostatics
2024/12/26 by Sean Kavanagh, Seán R. Kavanagh, Kavanagh, Seán R. · 1 voice · 2 citations
Materials Science · Chemical Engineering · Chemistry · #Machine Learning in Materials Science #Catalysis and Oxidation Reactions #Inorganic Chemistry and Materials
- Defect-Limited Efficiency of Pnictogen Chalcohalide Solar Cells
2025/12/01 by Cibrán López, Seán R. Kavanagh, López, Cibrán +11 · 1 citation
Energy · Engineering · #Chalcogenide Semiconductor Thin Films #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Perovskite Materials and Applications #TiO2 Photocatalysis and Solar Cells
- Fast and Accurate Foundation Models for Equivariant Machine-Learned Interatomic Potentials
2026/07/30 by Seán R. Kavanagh, Chuin Wei Tan, Menghang Wang +12
Physics and Astronomy · #physics.comp-ph #cond-mat.mtrl-sci #physics.app-ph #physics.chem-ph