Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Terayama, Kei, Sumita, Masato, Tamura, Ryo, Payne, Daniel T., Chahal, Mandeep K., Ishihara, Shinsuke, Tsuda, Koji
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7409358/
https://www.ncbi.nlm.nih.gov/pubmed/32832058
http://dx.doi.org/10.1039/d0sc00982b