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

An accurate and efficient framework for modelling the surface chemistry of ionic materials
BX Shi, AS Rosen, T Schäfer, A Grüneis, V Kapil, A Zen, A Michaelides
Nature Chemistry
(2025)
17
Spontaneous Surface Charging and Janus Nature of the Hexagonal Boron Nitride-Water Interface
Y Wang, H Luo, XR Advincula, Z Zhao, A Esfandiar, D Wu, KD Fong, L Gao, AS Hazrah, T Taniguchi, C Schran, Y Nagata, L Bocquet, M-L Bocquet, Y Jiang, A Michaelides, M Bonn
J Am Chem Soc
(2025)
147
Low-density amorphous ice contains crystalline ice grains
MB Davies, A Rosu-Finsen, CG Salzmann, A Michaelides
Physical Review B
(2025)
112
Accurate and efficient machine learning interatomic potentials for finite temperature modelling of molecular crystals
F Della Pia, BX Shi, V Kapil, A Zen, D Alfè, A Michaelides
Chemical science
(2025)
16
Protons Accumulate at the Graphene-Water Interface
XR Advincula, KD Fong, A Michaelides, C Schran
ACS nano
(2025)
19
Systematic discrepancies between reference methods for noncovalent interactions within the S66 dataset
BX Shi, F Della Pia, YS Al-Hamdani, A Michaelides, D Alfè, A Zen
The Journal of chemical physics
(2025)
162
On the Physical Origins of Reduced Ionic Conductivity in Nanoconfined Electrolytes.
KD Fong, CP Grey, A Michaelides
ACS Nano
(2025)
19
Efficient exploration of reaction pathways using reaction databases and active learning.
D Kuryla, G Csányi, ACT van Duin, A Michaelides
The Journal of Chemical Physics
(2025)
162
PLUMED Tutorials: A collaborative, community-driven learning ecosystem
GA Tribello, M Bonomi, G Bussi, C Camilloni, BI Armstrong, A Arsiccio, S Aureli, F Ballabio, M Bernetti, L Bonati, SGH Brookes, ZF Brotzakis, R Capelli, M Ceriotti, K-T Chan, P Cossio, S Dasetty, D Donadio, B Ensing, AL Ferguson, G Fraux, JD Gale, FL Gervasio, T Giorgino, NSM Herringer, GM Hocky, SE Hoff, M Invernizzi, O Languin-Cattoën, V Leone, V Limongelli, O Lopez-Acevedo, F Marinelli, P Febrer Martinez, M Masetti, S Mehdi, A Michaelides, MH Murtada, M Parrinello, PM Piaggi, A Pietropaolo, F Pietrucci, S Pipolo, C Pritchard, P Raiteri, S Raniolo, D Rapetti, V Rizzi, J Rydzewski, M Salvalaglio, C Schran, A Seal, A Shayesteh Zadeh, TFD Silva, V Spiwok, G Stirnemann, D Sucerquia, P Tiwary, O Valsson, M Vendruscolo, GA Voth, AD White, J Wu
The Journal of chemical physics
(2025)
162
Defects induce phase transition from dynamic to static rippling in graphene
FL Thiemann, C Scalliet, EA Müller, A Michaelides
Proceedings of the National Academy of Sciences of the United States of America
(2025)
122

Research Group

Research Interest Group

Telephone number

01223 336314

Email address