Professor Angelos Michaelides FRS | Page 9 | 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

Interaction between water and carbon nanostructures: How good are current density functional approximations?

JG Brandenburg, A Zen, D Alfè, A Michaelides

– J Chem Phys

(2019)

151,

164702

(doi: 10.1063/1.5121370)

A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias.

A Zen, JG Brandenburg, A Michaelides, D Alfè

– J Chem Phys

(2019)

151,

134105

(doi: 10.1063/1.5119729)

Promoting transparency and reproducibility in enhanced molecular simulations.

PLUMED consortium

– Nat Methods

(2019)

16,

670

(doi: 10.1038/s41592-019-0506-8)

Strain Relief during Ice Growth on a Hexagonal Template

N Gerrard, C Gattinoni, F McBride, A Michaelides, A Hodgson

– J Am Chem Soc

(2019)

141,

8599

(doi: 10.1021/jacs.9b03311)

Anomalously Low Barrier for Water Dimer Diffusion on Cu(111).

C Bertram, W Fang, P Pedevilla, A Michaelides, K Morgenstern

– Nano Letters

(2019)

19,

3049

(doi: 10.1021/acs.nanolett.9b00392)

Carbon Monoxide Mediated Hydrogen Release from PtCu Single-Atom Alloys: The Punctured Molecular Cork Effect

MT Darby, FR Lucci, MD Marcinkowski, AJ Therrien, A Michaelides, M Stamatakis, ECH Sykes

– The Journal of Physical Chemistry C

(2019)

123,

10419

(doi: 10.1021/acs.jpcc.9b01213)

The quantum nature of hydrogen

W Fang, J Chen, Y Feng, XZ Li, A Michaelides

– International Reviews in Physical Chemistry

(2019)

38,

35

(doi: 10.1080/0144235X.2019.1558623)

Surface premelting of water ice

B Slater, A Michaelides

– Nature Reviews Chemistry

(2019)

3,

172

(doi: 10.1038/s41570-019-0080-8)

Ice is born in low-mobility regions of supercooled liquid water.

M Fitzner, GC Sosso, SJ Cox, A Michaelides

– Proc Natl Acad Sci U S A

(2019)

116,

2009

(doi: 10.1073/pnas.1817135116)

Adsorption Behavior of Organic Molecules: A Study of Benzotriazole on Cu(111) with Spectroscopic and Theoretical Methods.

C Gattinoni, P Tsaousis, C Euaruksakul, R Price, DA Duncan, T Pascal, D Prendergast, G Held, A Michaelides

– Langmuir : the ACS journal of surfaces and colloids

(2019)

35,

882

(doi: 10.1021/acs.langmuir.8b03528)