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Guidelines for robust and reproducible point defect simulations in crystals

Crossref DOI link: https://doi.org/10.1038/s41578-025-00879-y

Published Online: 2026-01-19

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Squires, Alexander G. https://orcid.org/0000-0001-6967-3690
Kavanagh, Seán R. https://orcid.org/0000-0003-4577-9647
Walsh, Aron https://orcid.org/0000-0001-5460-7033
Scanlon, David O. https://orcid.org/0000-0001-9174-8601
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Text and Data Mining valid from 2026-01-19

Version of Record valid from 2026-01-19
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Article History

Accepted: 10 December 2025

First Online: 19 January 2026

Competing interests

: The authors declare no competing interests.