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Density of states prediction for materials discovery via contrastive learning from probabilistic embeddings
Machine learning for materials discovery has largely focused on predicting an individual scalar rather than multiple related properties, where spectral properties are an important example. Fundamental spectral properties include the phonon density of states (phDOS) and the electronic density of stat...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8854636/ https://www.ncbi.nlm.nih.gov/pubmed/35177607 http://dx.doi.org/10.1038/s41467-022-28543-x |