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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Martin’s paper published in Nature Commuications

Martin’s paper together with Gabriele, Fabio, Silvio and Angelos has been published in Nature Communications! In this paper we investigate pre-critical fluctuations and what they can tell us about the heterogeneous nucleation event. Pre-critical fluctuations are the earliest occurrences of crystalline clusters in a supercooled liquid and thus readily probed in simulations such as molecular […]

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The ICE Group goes to Hever – 1000 GBP raised for WaterAid !

Following the victory of Phil, Gabriele and Angelos at the Hever Castle Triathlon Half-Ironman relay, we just managed (right on time, as Christmas is almost upon us!) to raise 1000 GBP for WaterAid… mission accomplished! Thanks so very much to each and everyone of those who contributed! Providing clean water to each and every person in […]

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New paper accepted in Nature Chemistry

Our collaborative paper with Charlie Sykes, Michail Stamatakis and other entitled “PtCu Single Atom Alloys as a Coke Resistant Strategy for Efficient C-H Activation” has been accepted for publication at Nature Chemistry. Well done everyone! The paper can be found online and in our publications list.

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Yasmine wins another prize!

Yasmine has been awarded the Physics Department’s Marshall Stoneham PhD prize. The citation reads “… for her quantum Monte Carlo studies of adsorption, in which she was able to obtain the most accurate reference data for the interaction of water and molecular hydrogen with hexagonal boron nitride surfaces and carbon nanotubes.” Well done Yasmine!

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Wei finished his viva!

Wei completed his viva on Monday this week and deserves a great deal of congratulations! His thesis, on quantum nuclear effects, had no changes recommended, which is a very impressive achievement! All of us at the ICE group are very proud of his work here and hope him the best for the future.

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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