Research Cluster of Data-Driven Catalyst Developments

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Create novel heterogeneous catalysts using artificial intelligence technique



Cluster Leader Takashi TOYAO

Member Atsushi URAKAWA(TU Delft), Davide FERRI (Paul Scherrer Institut), Davide FERRI,Evgeny PIDKO(TU Delft), Christophe COPERET(ETH Zurich)

The discovery and development of catalysts and catalytic processes are essential components to sustainable future. Recent revolutions made in data science could have a great impact on traditional catalysis research in both industry and academia and could accelerate the development of catalysts. Machine learning (ML), a subfield of data science, can play a central role in this paradigm shift away from the use of traditional approaches. We will seamlessly integrate experiment, theory and data science to realize catalysts development and to guide future studies aimed at applications that impact society’s need for sustainable methods to produce energy, materials and chemicals.

 

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