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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: Our deep learning method — “IcePic” — to predict a materials ice nucleation ability has been published in PNAS

Our deep learning method — “IcePic” — to predict a materials ice nucleation ability has been published in PNAS

27/07/2022


Read more at: Nano Letters paper on impact of defects on morphology of graphene

Nano Letters paper on impact of defects on morphology of graphene

05/10/2021


Read more at: PNAS paper on machine learning potentials for complex aqueous systems made simple

PNAS paper on machine learning potentials for complex aqueous systems made simple

14/09/2021



Recent News

Read more at: Prize: Psi-k Poster Prize for Niamh!

Prize: Psi-k Poster Prize for Niamh!

25/08/2022


Read more at: Group: Psi-k Conference

Group: Psi-k Conference

25/08/2022


Read more at: Group: Surfaces and Materials Symposium and Howard Castle Triathlon

Group: Surfaces and Materials Symposium and Howard Castle Triathlon

26/07/2022