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...
محفوظ في:
| المؤلفون الرئيسيون: | , |
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| التنسيق: | Artigo |
| اللغة: | Inglês |
| منشور في: |
IOP Publishing
2025-01-01
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| سلاسل: | Machine Learning: Science and Technology |
| الموضوعات: | |
| الوصول للمادة أونلاين: | https://doi.org/10.1088/2632-2153/adfa68 |
| الوسوم: |
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