Research project

Towards a comprehensive and predictive theory of catalysis based on simple structure-activity relations

Can we tailor catalysts at the atomic scale by means of high-school chemistry and geometry rules?

Funding: NWO Veni 2014

By using large-scale computer simulations, this projects aims to develop a general methodology for the design of tomorrow’s catalysts based on the number of valence electrons and coordination numbers, two simple yet powerful concepts.