Our research involves computer simulations of catalytic and environmental interfaces, aiming at reaching fundamental new understanding of elementary processes at such interfaces. As part of our work, we also seek to develop and improve current simulations methods (quantum and classical) to study such systems. Some of our research highlights are listed below.


We are always eager to have new people join our group — especially those from diverse backgrounds. If you’re interested in our work and in joining our group, please read our guidance on how to do so on this page

Recent News

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Group: Psi-k 2025

05/09/2025


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Group: Theory RIG Garden Party

23/07/2025


Research Highlights

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New ‘In and Out’ mechanism reveals how carbon dioxide reacts at water’s surface


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Group: autoSKZCAM paper out in Nature Chemistry

05/09/2025


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Michael's paper on ‘Space ice’ out in PRB!