Professor Angelos Michaelides FRS | The ICE Group

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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

Formation of Methane Hydrate in the Presence of Natural and Synthetic Nanoparticles

SJ Cox, DJF Taylor, TGA Youngs, AK Soper, TS Totton, RG Chapman, M Arjmandi, MG Hodges, NT Skipper, A Michaelides

– J Am Chem Soc

(2018)

140,

3277

(doi: 10.1021/jacs.7b12050)

Development of a machine learning potential for graphene

P Rowe, G Csányi, D Alfè, A Michaelides

– Physical Review B

(2018)

97,

054303

(doi: 10.1103/physrevb.97.054303)

Fast and accurate quantum Monte Carlo for molecular crystals

A Zen, JG Brandenburg, J Klimeš, A Tkatchenko, D Alfè, A Michaelides

– Proceedings of the National Academy of Sciences

(2018)

115,

1724

(doi: 10.1073/pnas.1715434115)

Carbon Monoxide Poisoning Resistance and Structural Stability of Single Atom Alloys.

MT Darby, ECH Sykes, A Michaelides, M Stamatakis

– Topics in Catalysis

(2018)

61,

428

(doi: 10.1007/s11244-017-0882-1)

Pt/Cu single-atom alloys as coke-resistant catalysts for efficient C-H activation

MD Marcinkowski, MT Darby, J Liu, JM Wimble, FR Lucci, S Lee, A Michaelides, M Flytzani-Stephanopoulos, M Stamatakis, ECH Sykes

– Nature Chemistry

(2018)

10,

325

(doi: 10.1038/NCHEM.2915)

Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation

M Fitzner, GC Sosso, F Pietrucci, S Pipolo, A Michaelides

– Nature communications

(2017)

8,

2257

(doi: 10.1038/s41467-017-02300-x)

Hydrogenation Facilitates Proton Transfer through Two-Dimensional Honeycomb Crystals.

Y Feng, J Chen, W Fang, E-G Wang, A Michaelides, X-Z Li

– Journal of Physical Chemistry Letters

(2017)

8,

6009

(doi: 10.1021/acs.jpclett.7b02820)

Exploring dissociative water adsorption on isoelectronically BN doped graphene using alchemical derivatives.

YS Al-Hamdani, A Michaelides, OA von Lilienfeld

– Journal of Chemical Physics

(2017)

147,

164113

(doi: 10.1063/1.4986314)

A Machine Learning Potential for Graphene

P Rowe, G Csányi, D Alfè, A Michaelides

(2017)

(doi: 10.48550/arxiv.1710.04187)

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

– The Journal of chemical physics

(2017)

147,

121102

(doi: 10.1063/1.4997698)