期刊
CHEMCATCHEM
卷 11, 期 4, 页码 1146-1152出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cctc.201801956
关键词
Catalyst Informatics; Data Science; Platform; Catalysts Data; Machine Learning
资金
- Japan Science and Technology Agency(JST) CREST Grant [JPMJCR17P2]
- JSPS KAKENHI [JP17K14803]
- Materials research by Information Integration (MI2I) Initiative project of the Support Program for Starting Up Innovation Hub from JST
Catalysis research is on the verge of experiencing a paradigm shift regarding how catalysts are designed and characterized due to the rise of catalyst informatics. The details of catalyst informatics are reviewed where the following three key concepts are proposed: catalyst data, catalyst data to catalyst design via data science, and catalyst platform. Additionally, progress and opportunities within catalyst informatics are explored and introduced. If the field of catalyst informatics grows in the appropriate manner, the methods and approaches taken for catalyst design would be fundamentally altered, leading towards great advancement within catalysis research.
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