Benchmarking empirical and machine-learned interatomic potentials using phase diagram predictions for Lead

Fuente: arXiv
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Bibliographic Details
Main Authors: Hellyar, Tom, Salzbrenner, Pascal T., Cooke, Peter I. C., Pickard, Chris J., Habershon, Scott, Pártay, Livia B.
Format: Preprint
Published: 2026
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