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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.

Research Highlights

Read more at: "Classical quantum friction" - Anna's work on friction at water-carbon interfaces out in Nano Letters!

"Classical quantum friction" - Anna's work on friction at water-carbon interfaces out in Nano Letters!

24/01/2023


Read more at: “DMC-ICE13” – our dataset of 13 ice polymorphs lattice energies computed with diffusion Monte Carlo is on the cover in JCP!

“DMC-ICE13” – our dataset of 13 ice polymorphs lattice energies computed with diffusion Monte Carlo is on the cover in JCP!

03/10/2022


Read more at: Venkat's Nature paper on phase behaviour of nanoconfined 2D water

Venkat's Nature paper on phase behaviour of nanoconfined 2D water

14/09/2022



Recent News

Read more at: Group: Christmas event and farewell to Michael!

Group: Christmas event and farewell to Michael!

13/12/2022


Read more at: Group: Farewell to Maria!

Group: Farewell to Maria!

12/12/2022


Read more at: Prize: Poster Prize for Anna!

Prize: Poster Prize for Anna!

13/12/2022