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Pushing property limits in materials discovery via boundless objective-free exploration

Materials chemists develop chemical compounds to meet often conflicting demands of industrial applications. This process may not be properly modeled by black-box optimization because the target property is not well defined in some cases. Herein, we propose a new algorithm for automated materials dis...

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Bibliografski detalji
Izdano u:Chem Sci
Glavni autori: Terayama, Kei, Sumita, Masato, Tamura, Ryo, Payne, Daniel T., Chahal, Mandeep K., Ishihara, Shinsuke, Tsuda, Koji
Format: Artigo
Jezik:Inglês
Izdano: Royal Society of Chemistry 2020
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7409358/
https://ncbi.nlm.nih.gov/pubmed/32832058
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0sc00982b
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