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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).

Biography

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

Publications

Understanding the role of ions and water molecules in the NaCl dissolution process
J Klimeš, DR Bowler, A Michaelides
– The Journal of chemical physics
(2013)
139,
234702
The microscopic features of heterogeneous ice nucleation may affect the macroscopic morphology of atmospheric ice crystals.
SJ Cox, Z Raza, SM Kathmann, B Slater, A Michaelides
– Faraday Discuss
(2013)
167,
389
On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures.
B Santra, J Klimes, A Tkatchenko, D Alfè, B Slater, A Michaelides, R Car, M Scheffler
– Journal of Chemical Physics
(2013)
139,
154702
Quantum simulation of low-temperature metallic liquid hydrogen
J Chen, X-Z Li, Q Zhang, MIJ Probert, CJ Pickard, RJ Needs, A Michaelides, E Wang
– Nature Communications
(2013)
4,
2064
Nature of proton transport in a water-filled carbon nanotube and in liquid water.
J Chen, X-Z Li, Q Zhang, A Michaelides, E Wang
– Phys Chem Chem Phys
(2013)
15,
6344
Quantum effects in the diffusion of hydrogen on Ru(0001)
EM McIntosh, KT Wikfeldt, J Ellis, A Michaelides, W Allison
– Journal of Physical Chemistry Letters
(2013)
4,
1565
Classical and quantum ordering of protons in cold solid hydrogen under megabar pressures
X-Z Li, B Walker, MIJ Probert, CJ Pickard, RJ Needs, A Michaelides
– J Phys Condens Matter
(2013)
25,
085402
The role of van der Waals forces in water adsorption on metals
J Carrasco, J Klimeš, A Michaelides
– Journal of Chemical Physics
(2013)
138,
024708
Ab initio simulations of wet and dry interfaces
A Michaelides
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2013)
245,
Adsorption of organic molecules at metal and metal-oxide surfaces: Theoretical challenges, concepts, and insights
M Scheffler, W Liu, J Carrasco, B Santra, A Michaelides, A Tkatchenko, R Schlesinger, Y Xu, OT Hofmann, S Winkler, J Frisch, J Niederhausen, A Vollmer, S Blumstengel, P Rinke, F Henneberger, N Koch
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2013)
245,
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Head of group

Research Interest Group

Telephone number

01223 336314

Email address