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1968 Professor of Chemistry

I joined the Department in 2020 as the 1968 Professor of Chemistry. See the following link for more information.

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. For further information on our research interests see our group web pages.

Positions are availabe for talented students (Part III, masters and PhD) and post-docs interested in joining the group. Interested candiates are encouraged to get in touch by emailing me (with a copy of their CV and research interests).


Angelos Michaelides obtained a PhD in Theoretical Chemistry in 2000 from The Queen's University of Belfast. Following this, he worked as a post-doctoral research associate and junior research fellow at the University of Cambridge and then at the Fritz Haber Institute, Berlin as an Alexander von Humboldt research fellow and subsequently research group leader. Between 2006 and 2020 he was at University College London where he was Director and Co-Director of the Thomas Young Centre: The London Centre for the Theory and Simulation of Materials and the founding Director of the Materials and Molecular Modelling Hub. Since 2020 he has been the 1968 Professor of Chemistry at the University of Cambridge.

Professor Michaelides discusses his research


Supercomputing modelling of advanced materials: preface.
CRA Catlow, NH De Leeuw, A Michaelides, SM Woodley
– Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
Considerably Increased Dynamics of CO–Water Complexes over CO and Water Alone
C Bertram, C Zaum, W Fang, A Michaelides, K Morgenstern
– Nano Lett
pH-dependent water permeability switching and its memory in MoS2 membranes.
CY Hu, A Achari, P Rowe, H Xiao, S Suran, Z Li, K Huang, C Chi, CT Cherian, V Sreepal, PD Bentley, A Pratt, N Zhang, KS Novoselov, A Michaelides, RR Nair
– Nature
Mechanisms of adsorbing hydrogen gas on metal decorated graphene
YS Al-Hamdani, A Zen, A Michaelides, D Alfè
– Physical Review Materials
Hydration at Highly Crowded Interfaces.
C Penschke, J Thomas, C Bertram, A Michaelides, K Morgenstern, P Saalfrank, U Bovensiepen
– Physical review letters
Medium-density amorphous ice
A Rosu-Finsen, MB Davies, A Amon, H Wu, A Sella, A Michaelides, CG Salzmann
– Science (New York, N.Y.)
Classical Quantum Friction at Water-Carbon Interfaces.
AT Bui, FL Thiemann, A Michaelides, SJ Cox
– Nano Letters
Crumbling Crystals: On the Dissolution Mechanism of NaCl in Water
N O'Neill, C Schran, SJ Cox, A Michaelides
Classical quantum friction at water-carbon interfaces
AT Bui, FL Thiemann, A Michaelides, SJ Cox
DMC-ICE13: Ambient and high pressure polymorphs of ice from diffusion Monte Carlo and density functional theory
F Della Pia, A Zen, D Alfè, A Michaelides
– The Journal of chemical physics
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Head of group

Research Interest Group

Telephone number

01223 336314

Email address