Wouter Kluijtmans
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View article: Activity Descriptors of Mo2C-based Catalysts for C-OH Bond Activation
Activity Descriptors of Mo2C-based Catalysts for C-OH Bond Activation Open
Deriving structure-activity relationships is crucial for designing efficient catalysts. To aid in this quest, data-driven methods such as machine learning (ML) are emerging. In this work, we incorporate ML tools with accurate density funct…