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

A Machine Learning Potential for Graphene
P Rowe, G Csányi, D Alfè, A Michaelides
(2017)
Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces.
M Fitzner, L Joly, M Ma, GC Sosso, A Zen, A Michaelides
J Chem Phys
(2017)
147
What makes a good descriptor for heterogeneous ice nucleation on OH-patterned surfaces
P Pedevilla, M Fitzner, A Michaelides
Physical Review B
(2017)
96
Simultaneous Deep Tunneling and Classical Hopping for Hydrogen Diffusion on Metals
W Fang, JO Richardson, J Chen, X-Z Li, A Michaelides
Physical review letters
(2017)
119
Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy.
YS Al-Hamdani, M Rossi, D Alfè, T Tsatsoulis, B Ramberger, JG Brandenburg, A Zen, G Kresse, A Grüneis, A Tkatchenko, A Michaelides
J Chem Phys
(2017)
147
Encapsulation and Polymerization of White Phosphorus Inside Single-Wall Carbon Nanotubes.
M Hart, ER White, J Chen, CM McGilvery, CJ Pickard, A Michaelides, A Sella, MSP Shaffer, CG Salzmann
Angewandte Chemie International Edition
(2017)
56
Encapsulation and Polymerization of White Phosphorus Inside Single‐Wall Carbon Nanotubes
M Hart, ER White, J Chen, CM McGilvery, CJ Pickard, A Michaelides, A Sella, MSP Shaffer, CG Salzmann
Angewandte Chemie
(2017)
129
A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface
T Tsatsoulis, F Hummel, D Usvyat, M Schütz, GH Booth, SS Binnie, MJ Gillan, D Alfè, A Michaelides, A Grüneis
The Journal of chemical physics
(2017)
146
Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal-Organic Frameworks.
B Vlaisavljevich, J Huck, Z Hulvey, K Lee, JA Mason, JB Neaton, JR Long, CM Brown, D Alfè, A Michaelides, B Smit
The Journal of Physical Chemistry A
(2017)
121
Water-Ice Analogues of Polycyclic Aromatic Hydrocarbons: Water Nanoclusters on Cu(111).
ML Liriano, C Gattinoni, EA Lewis, CJ Murphy, ECH Sykes, A Michaelides
J Am Chem Soc
(2017)
139

Research Group

Research Interest Group

Telephone number

01223 336314

Email address