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Naturally-meaningful and efficient descriptors: machine learning of material properties based on robust one-shot ab initio descriptors
Establishing a data-driven pipeline for the discovery of novel materials requires the engineering of material features that can be feasibly calculated and can be applied to predict a material’s target properties. Here we propose a new class of descriptors for describing crystal structures, which we...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9644534/ https://www.ncbi.nlm.nih.gov/pubmed/36348412 http://dx.doi.org/10.1186/s13321-022-00658-9 |