ChemCatChem · 2018 · 104 citations · 28 references
Natural SciencesChemistryData ScienceCatalysisChemical GenomicsReaction EngineeringCatalysis ModelingCatalyst CharacterizationCatalyst DesignCatalytic MaterialsCatalytic Reaction EngineeringHeterogeneous CatalysisCatalyst DevelopmentCatalyst DiscoveryCatalyst Optimization
Abstract 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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