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Learning from data to design functional materials without inversion symmetry
Accelerating the search for functional materials is a challenging problem. Here we develop an informatics-guided ab initio approach to accelerate the design and discovery of noncentrosymmetric materials. The workflow integrates group theory, informatics and density-functional theory to uncover desig...
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| Publicado no: | Nat Commun |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5321684/ https://ncbi.nlm.nih.gov/pubmed/28211456 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/ncomms14282 |
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