Black Box Discovery and Optimisation of New Catalysts

Information-guided approach for discovery and optimisation of new catalysts. 

Knowledge acquisition from data analysis mechanistic and kinetic insights for a given reaction. 

In the first step, mixtures of compounds from a defined pool of elements and support materials, compiled on the basis of fundamental knowledge, are chosen 

This strategy will be illustrated below for the search of new WGS catalysts, being referred to as Strategy WGS 1 . 

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Black Box Discovery and Optimisation of New Catalysts Using an Evolutionary Strategy... 

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