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 candidates are encouraged to get in touch -- further information on how to do this can be found here

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

Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo
SJ Cox, MD Towler, D Alfè, A Michaelides
J Chem Phys
(2014)
140
Significant Quantum Effects in Hydrogen Activation
G Kyriakou, ERM Davidson, G Peng, LT Roling, S Singh, MB Boucher, MD Marcinkowski, M Mavrikakis, A Michaelides, ECH Sykes
ACS Nano
(2014)
8
Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces
J Carrasco, W Liu, A Michaelides, A Tkatchenko
The Journal of chemical physics
(2014)
140
Communication: Ab initio simulations of hydrogen-bonded ferroelectrics: Collective tunneling and the origin of geometrical isotope effects
KT Wikfeldt, A Michaelides
The Journal of chemical physics
(2014)
140
Solvent-Induced Proton Hopping at a Water–Oxide Interface
G Tocci, A Michaelides
The Journal of Physical Chemistry Letters
(2014)
5
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
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 discussions
(2013)
167
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
The Journal of chemical physics
(2013)
139
Water and ice at surfaces
A Michaelides
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2013)
246
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
Nat Commun
(2013)
4

Head of group

Research Interest Group

Telephone number

01223 336314

Email address