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...
| الحاوية / القاعدة: | Machine Learning: Science and Technology |
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| المؤلفون الرئيسيون: | , |
| التنسيق: | مقال |
| اللغة: | الإنجليزية |
| منشور في: |
IOP Publishing
2025-01-01
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| الموضوعات: | |
| الوصول للمادة أونلاين: | https://doi.org/10.1088/2632-2153/adfa68 |