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Machine Learning: Direct Prediction of Phonon Density of States With Euclidean Neural Networks (Adv. Sci. 12/2021)
Phonon density‐of‐states is a key property that governs materials thermal properties but is nontrivial to compute or measure. A neural network that carries full crystal symmetry allows a prediction of phonon density‐of‐states using a small volume of training data, approaching ab initio accuracy but...
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| Publicado no: | Adv Sci (Weinh) |
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| Main Authors: | , , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
John Wiley and Sons Inc.
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8224407/ https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/advs.202170068 |
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