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.

If you are interested in our work, feel free to contact Prof. Angelos Michaelides to discuss joining the group. Those interested in starting PhDs in October in the group should note that the University funding deadline is typically in early December of the preceding year, with more information provided here. Postdoctoral fellowships, such as those listed here, also have deadlines that are typically several months to a year in advance of the start date.

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!