Optimal invariant sets for atomistic machine learning

Journal article

npj Computational Materials, Vol.12(1), p.75

01/17/2026

Abstract and subjects

Mathematics & Computing(97)

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Title: Optimal invariant sets for atomistic machine learning
Authors/Creators - name: Nicholas Edward Lubbers
Alice Elisabeth Anastasia Allen
Emily Suzanne Shinkle
Roxana Barbara Bujack
Publication Details: npj Computational Materials, Vol.12(1), p.75
Number of pages: 43
Government Number: LA-UR-25-22947
Language: English
Resource Type: Journal article
DOI: https://doi.org/10.1038/s41524-025-01948-0
Publication ISSN: 2057-3960