Science Highlights

A partially melted ice nanoparticle at about -100 degrees Celsius

Nano ice melts at -100 degrees!

25th March 2011

Computer simulations provide a molecule’s eye view of the melting of ice nanoparticles, predicting melting at very low temperatures. The melting of ice is a very familiar process but its ubiquity belies its importance. It plays a ...

A view of the ice surface illustrating weakly, (red), intermediate (white) and strongly bound water molecules (blue). White molecules are at the external surface, grey lie sub-surface.

Large variation in ice surface vacancies

25th March 2012

Ice exhibits a phenomenon known as pre-melting which was first alluded to by Michael Faraday in his ‘regelation’ experiments at the Royal Institution in the 1850’s. A liquid like layer forms at the surface of ice, but ...

Figure showing friction in graphene vs hBN

Simulating water slippage

25th January 2015

Friction is one of the main sources of dissipation. For instance, about one third of the world mechanical energy is dissipated into friction [1]. Understanding nanoscale friction at the interface between a liquid and a solid is also ...

Snapshots of a water nanodroplet diffusing on graphene with large (about 0.7 nm)-amplitude ripples.

Nanodroplets surfing on graphene

25th January 2016

The motion of atoms, molecules and clusters across the surfaces of materials is of critical importance to an endless list of phenomena.ion across surfaces generally involves motion on a vibrating but otherwise stationary substrate. H ...

QMC on 2D ice paper published at Phys. Rev. B

7th December 2016

In this work, Ji, Andrea and Gerit have worked together in re-evaluating the stability of so-called two-dimensional (2D) ice, one of the most interesting and controversial topics about ice in recent years. Recent experiments on ice ...

Phosphorus in carbon nanowires

2nd June 2017

The discovery of phosphorene, has sparked a renewed interest in the highly diverse chemistry and complex structures of this important main group element. This collaboration work demonstrated experimentally white phosphorus can be ...

Photo of Yasmine S. Al-Hamdani

Yasmine wins another prize!

10th November 2017

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 ...

Steve’s paper has been accepted by JACS

8th February 2018

Steve’s paper, in collaboration with Prof. Neal Skipper and BP, has been accepted by the Journal of the American Chemical Society. Using neutron scattering and molecular dynamics simulations, this paper investigates the effect of ...

Patrick’s paper has been published in PRB

26th February 2018

Patrick’s paper has been published in Physical Review B. In collaboration with Gábor Csányi at the University of Cambridge, Patrick developed a Gaussian approximation potential to simulate graphene to the same accuracy as density ...

Open Postdoc and PhD positions

24th April 2018

The ICE group is currently looking forward to recruit new members. One Postdoc position and two PhD positions are open for applications. Details can be found here....

Open Postdoc position

3rd September 2018

A position for a Research Associate in Computational Catalysis is now open. The project about methane activation at single atom alloys involves collaboration with Dr Michail Stamatakis and Prof. Charlie Sykes. To find out more or to ...

The ICE group is Triathlon-ing for WaterAid again!

13th September 2018

After last year’s phenomenal victory, the ICE group is participating for the second time in the Hever Castle Triathlon. This year, there will be two relay teams: Phil, Gabriele, and Angelos will compete again in the half-ironman, ...

Read all current highlights
Read all previous highlights