Guidelines for robust and reproducible point defect simulations in crystals

Nature Reviews Materials 2026

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Authors: Alexander G. Squires, Seán R. Kavanagh, Aron Walsh, David O. Scanlon

DOI: 10.1038/s41578-025-00879-y

Cited by: 10

References: 176

Fields of Study & Subjects

Machine Learning in Materials Science Advancements in Solid Oxide Fuel Cells Electronic and Structural Properties of Oxides

References 176