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.


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.


The ICE Group wins the Best Use of ARCHER Competition

Gabriele, Martin and Philpp have been awarded one of the ten prizes the ARCHER team has allocated for “The Best Use” of ARCHER, the outstanding UK National Supercomputing Service. The award consists of 3000 £, which will be used to support travel to the US for building collaborations – thus helping to develop the next generation […]


Philipp completed his viva!

Philipp has just passed his PhD viva today! Congratulations to him, or Dr. Pedevilla! Philipp has been with the ICE group for 4 years, he also got his master degree in the group. He has found a consultant job at Deloitte. His PhD work focus on understanding ice nucleation on rocks using computer simulations.


The ICE Group just had a Pint of Science

The ICE Group joined forces with the ZOOX Collective (http://www.zoox-collective.com) to take part into a public exhibit sponsored by A Pint of Science (https://pintofscience.co.uk), a non-profit organisation that brings some of the most brilliant scientists to your local pub to discuss their latest research and findings with you!   In tune with one of the most […]


A collaboration paper on encapsulated phosphorus accepted at Angewandte Chemie.

A new promising high-energy nanomaterial, based on encapsulated phosphorus, has been realised experimentally by Christoph Salzmann’s group and other collaborators at UCL and Imperial. They have cleverly filled phosphorus into single walled carbon nanotubes and characterised the structures and phase transitions. Built on our previous strategy of DFT simulations with empirical confinements and random structure […]


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