Professor Angelos Michaelides FRS | Page 22 | Yusuf Hamied Department of Chemistry

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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

Theory of gold on ceria

C Zhang, A Michaelides, SJ Jenkins

– Physical Chemistry Chemical Physics

(2010)

13,

22

(doi: 10.1039/c0cp01123a)

Direct assessment of quantum nuclear effects on hydrogen bond strength by constrained-centroid ab initio path integral molecular dynamics.

B Walker, A Michaelides

– The Journal of Chemical Physics

(2010)

133,

174306

(doi: 10.1063/1.3505038)

Structure and dynamics of liquid water on rutile TiO2(110)

LM Liu, C Zhang, G Thornton, A Michaelides

– Physical Review B

(2010)

82,

161415

(doi: 10.1103/PhysRevB.82.161415)

Dynamics of quantum tunneling: Effects on the rate and transition path of OH on Cu(110)

ERM Davidson, A Alavi, A Michaelides

– Physical Review B

(2010)

81,

153410

(doi: 10.1103/PhysRevB.81.153410)

Proton transfer in adsorbed water dimers.

XL Hu, J Klimes, A Michaelides

– Physical Chemistry Chemical Physics

(2010)

12,

3953

(doi: 10.1039/b924422k)

Quantum nature of the proton in water-hydroxyl overlayers on metal surfaces

X-Z Li, MIJ Probert, A Alavi, A Michaelides

– Phys Rev Lett

(2010)

104,

066102

(doi: 10.1103/PhysRevLett.104.066102)

A critical assessment of theoretical methods for finding reaction pathways and transition states of surface processes.

J Klimeš, DR Bowler, A Michaelides

– J Phys Condens Matter

(2010)

22,

074203

(doi: 10.1088/0953-8984/22/7/074203)

Surface energy and surface proton order of the ice Ih basal and prism surfaces

D Pan, L-M Liu, GA Tribello, B Slater, A Michaelides, E Wang

– Journal of physics. Condensed matter : an Institute of Physics journal

(2010)

22,

074209

(doi: 10.1088/0953-8984/22/7/074209)

Positive charge states and possible polymorphism of gold nanoclusters on reduced ceria

C Zhang, A Michaelides, DA King, SJ Jenkins

– Journal of the American Chemical Society

(2010)

132,

2175

(doi: 10.1021/ja906687f)

The kaolinite (001) polar basal plane

XL Hu, A Michaelides

– Surface Science

(2010)

604,

111

(doi: 10.1016/j.susc.2009.10.026)