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.

News

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The ICE group wins the Hever Castle Half-Ironman Relay!

Thanks to everyone for supporting our charity Half-Ironman in aid of WaterAid. Amazingly we won the relay in a time of 5 hours and 41 minutes. Not bad for a bunch of scientists! For anyone who didn’t get a chance to sponsor us before the race, it’s still not too late. See our JustGiving page […]

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Philipp’s and Martin’s paper published in PRB!

Philipp’s and Martin’s paper was published in Physical Review B! In this article they computed the ice nucleation ability of numerous model hydroxylated substrates with diverse OH group arrangements. For the substrates considered, they find that neither the symmetry of the OH patterns nor the similarity between a substrate and ice correlate well with the […]

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The ICE group is Triathlon-ing for WaterAid!

The ICE group is participating in the Hever Castle Triathlon 2017 in September for fund-raising for the charity organization WaterAid. Angelos will be the runner, Phil the swimmer and Gabriele the biker. Wish the ICE group good luck! Please donate here, Thank you!

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Wei’s paper accepted in PRL!

Wei’s paper on hydrogen diffusion on metal surfaces have been accepted in PRL! In this work, hydrogen diffusion on a variety of metal surfaces has been studied with DFT. We found many of these processes can be categorized as having barriers with conventional “parabolic-tops” or unconventional “broad-tops”. On the broad-top barriers, a temperature regime at […]

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The ICE group is recruiting post-docs!

The group is recruiting two post-docs to work on the ice nucleation project. The positions are part of the “HeteroIce” European Research Council (ERC) grant awarded to the Michaelides group. More details can be found in this link.

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Recent Publications

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