About the ICE Group

Our research involves computer simulations of catalytic and environmental interfaces, aiming at reaching fundamental new understanding of elementary processes at such interfaces. Water is a major focus of our work. We are part of the London Centre for Nanotechnology, Department of Physics & Astronomy at UCL, and the Thomas Young Centre, and we often work closely with other theoretical and experimental groups throughout Europe and beyond.



Angelos has been awarded the RSC Surfaces and Interfaces Award!

Angelos has been awarded the Royal Society of Chemistry Surfaces and Interfaces Award, for “outstanding contributions towards the understanding of complex aqueous interfaces and the formation of ice at such interfaces.” More information can be found here: https://www.rsc.org/awards-funding/awards/2020-winners/ Congratulations Angelos!


New Humboldt-Fellow in the group

Julia was successful in her application for an Alexander von Humboldt Fellowship and will continue her work in the ICE group with the Feodor Lynen Fellowship of the Alexander von Humboldt Foundation as of 1st June 2020. Congratulations Julia!  


The ICE group is moving!

Angelos has accepted a position in Cambridge, and so the ICE group is moving! It’s going to be a reasonably slow multi-year phase transition. You can find more information in the official announcement. Congratulations, Angelos, and all the best for this exciting new opportunity!


Angelos appears on Clarivate’s ‘Highly Cited Researchers’ list!

Angelos has appeared on Clarivate’s ‘Highly Cited Researchers’ list for the second year in a row. Inclusion on the list is based on the number of recent publications that ranked in the top 1% by citations in a given field and year. For further details see: https://www.ucl.ac.uk/news/2019/nov/ucl-academics-named-global-list-influential-researchers Congratulations!


Martin wins PhD prize!

Martin won the Marshall Stoneham prize for his PhD thesis on “Merging data-driven and computational methods to understand ice nucleation”. It is awarded by the Condensed Matter & Materials Physics Group (CMMP) for outstanding postgraduate research. Well done!


Recent Publications

Origins of fast diffusion of water dimers on surfaces

15th April 2020
Nature Communications

Wei Fang, Ji Chen, Philipp Pedevilla, Xin-Zheng Li, Jeremy O. Richardson, Angelos Michaelides

The diffusion of water molecules and clusters across the surfaces of materials is important to a wide range of processes. Interestingly, experiments have shown that on certain substrates, water dimers can diffuse more rapidly than ...

Cation-controlled wetting properties of vermiculite membranes and its promise for fouling resistant oil–water separation

Nature Communications

K. Huang, P. Rowe, C. Chi, V. Sreepal, T. Bohn, K.-G. Zhou, Y. Su, E. Prestat, P. Balakrishna Pillai, C.T. Cherian, A. Michaelides, R.R. Nair

Manipulating the surface energy, and thereby the wetting properties of solids, has promise for various physical, chemical, biological and industrial processes. Typically, this is achieved by either chemical modification or by ...

Small polarons and the Janus nature of TiO2 (110)

17th January 2020
Physical Review B

Ji Chen, Christopher Penschke, Ali Alavi, Angelos Michaelides

Polarons are ubiquitous in many semiconductors and have been linked with conductivity and op- tical response of materials for photovoltaics and heterogeneous catalysis, yet how surface polarons influence adsorption remains unclear. ...

Is High-Density Amorphous Ice Simply a ‘Derailed’ State along the Ice I to Ice IV Pathway?

22nd March 2017
The Journal of Physical Chemistry Letters

Jacob J. Shephard, Sanliang Ling, Gabriele C. Sosso, Angelos Michaelides, Ben Slater, and Christoph G. Salzmann

Is High-Density Amorphous Ice Simply a ‘Derailed’ State along the Ice I to Ice IV Pathway? In this paper, just accepted by The Journal of Physical Chemistry Letters, we try to answer that question by investigating a ...

Corrosion control: general discussion

2nd July 2015
Faraday Discuss.

Angus Cook, Gerald Frankel, Alison Davenport, Trevor Hughes, Simon Gibbon, David Williams, Hendrik Bluhm, Vincent Maurice, Stephen Lyth, Philippe Marcus, David Shoesmith, Clara Wren, Julian Wharton, Gregory Hunt, Stuart Lyon, Tom Majchrowski, Rob Lindsay, Geraint Williams, Beatriz Rico Oller, Mira Todorova, Sonja Nixon, Su-Ting Cheng, John Scully, Ann Wilson, Frank Renner, Ying-Hsuan Chen, Christopher Taylor, Hiroki Habazaki, Angelos Michaelides, Suzanne Morsch, Peter Visser, Line Kyhl and Anton Kokalj