Universal machine learning interatomic potentials are ready for phonons

Abstract There has been an ongoing race for the past several years to develop the best universal machine learning interatomic potential. This progress has led to increasingly accurate models for predicting energy, forces, and stresses, combining innovative architectures with big data. Here, we bench...

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Bibliographic Details
Main Authors: Antoine Loew, Dewen Sun, Hai-Chen Wang, Silvana Botti, Miguel A. L. Marques
Format: Article
Language:English
Published: Nature Portfolio 2025-06-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01650-1
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