Benchmarking universal machine learning interatomic potentials for rapid analysis of inelastic neutron scattering data
The accurate calculation of phonons and vibrational spectra remains a significant challenge, requiring highly precise evaluations of interatomic forces. Traditional methods based on the quantum description of the electronic structure, while widely used, are computationally expensive and demand subst...
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| Autori principali: | , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
IOP Publishing
2025-01-01
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| Serie: | Machine Learning: Science and Technology |
| Soggetti: | |
| Accesso online: | https://doi.org/10.1088/2632-2153/adfa68 |
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