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Computer-aided design of metal chalcohalide semiconductors: from chemical composition to crystal structure
The standard paradigm in computational materials science is INPUT: Structure; OUTPUT: Properties, which has yielded many successes but is ill-suited for exploring large areas of chemical and configurational hyperspace. We report a high-throughput screening procedure that uses compositional descripto...
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| Publicado no: | Chem Sci |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Royal Society of Chemistry
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5883896/ https://ncbi.nlm.nih.gov/pubmed/29675149 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c7sc03961a |
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