Aron Walsh
- Consensus statement for stability assessment and reporting for perovskite photovoltaics based on ISOS procedures
2020/01/22 by Mark Khenkin, Eugene A. Katz, Antonio Abate +56 · 21 citations
Engineering · Materials Science · #Perovskite Materials and Applications #Chalcogenide Semiconductor Thin Films #Solid-state spectroscopy and crystallography
- 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
- Dynamic Nanodomains Dictate Macroscopic Properties in Lead Halide Perovskites
2024/04/22 by Miloš Dubajić, Dubajic, Milos, James R. Neilson +55 · 4 citations
Engineering · #FOS: Physical sciences #Gas Sensing Nanomaterials and Sensors #Materials Science (cond-mat.mtrl-sci) #Perovskite Materials and Applications
- Dynamic Local Structure in Caesium Lead Iodide: Spatial Correlation and Transient Domains
2023/04/10 by William M. Baldwin, Xia Liang, Baldwin, William +19 · 2 citations
Engineering · Materials Science · #Advanced Thermoelectric Materials and Devices #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Perovskite Materials and Applications
- Na Vacancy Driven Phase Transformation and Fast Ion Conduction in W-doped Na3SbS4 from Machine Learning Force Fields
2024/03/29 by Johan Klarbring, Aron Walsh, Klarbring, Johan +1 · 2 citations
Materials Science · Engineering · #Machine Learning in Materials Science #Advanced Semiconductor Detectors and Materials #Chalcogenide Semiconductor Thin Films
- Quick-start guide for first-principles modelling of point defects in crystalline materials
2020/05/05 by Sunghyun Kim, Samantha N. Hood, Kim, Sunghyun +7 · 1 citation
Materials Science · Energy · #Advancements in Solid Oxide Fuel Cells #Machine Learning in Materials Science #Electrocatalysts for Energy Conversion
- Point defect formation at finite temperatures with machine learning force fields
2024/12/21 by Irea Mosquera‐Lois, Johan Klarbring, Mosquera-Lois, Irea +3 · 2 citations
Engineering · Materials Science · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Industrial Vision Systems and Defect Detection #Machine Learning in Materials Science #Manufacturing Process and Optimization #Materials Science (cond-mat.mtrl-sci)
- Element similarity in high-dimensional materials representations
2023/07/03 by Anthony Onwuli, Ashish V. Hegde, Onwuli, Anthony +7 · 1 citation
Chemistry · Materials Science · #FOS: Physical sciences #History and advancements in chemistry #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography
- 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
- MLIP Arena: Advancing Fairness and Transparency in Machine Learning Interatomic Potentials via an Open, Accessible Benchmark Platform
2025/09/25 by Yuan Chiang, Chiang, Yuan, Tobias Kreiman +25 · 8 citations
Computer Science · Medicine · Social Sciences · #Artificial Intelligence in Healthcare and Education #Chemical Physics (physics.chem-ph) #Computational Engineering #Ethics and Social Impacts of AI #Explainable Artificial Intelligence (XAI) #FOS: Computer and information sciences #FOS: Physical sciences #Finance #Materials Science (cond-mat.mtrl-sci) #and Science (cs.CE)
- 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
- Chemical filters for ultra-high-throughput materials screening and generation
2026/07/20 by Kinga O. Mastej, Panyalak Detrattanawichai, Hyunsoo Park +3
#cond-mat.mtrl-sci #cs.AI #cs.LG