Posts in category Uncategorised

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 of outstanding researchers utilising HPC. The award, which recognises the impact o
f our work about the heterogeneous nucleation of ice, will be officially presented to competition winners at the next ARCHER Champions Workshop in September 2017 in the south of England – stay tuned!

Gerit receives Young Investigator Award

Gerisanibel_prizet receives the Young Investigator Award of the Sanibel Symposium, where he gave a plenary talk on Density Functional Theory including van der Waals forces. The international conference is organized yearly by the University of Florida’s Quantum Theory Project and is well known as the “Theory Meeting for Theoreticians”.
Congratulations to him!

Gerit Brandenburg joins the ICE group

Gerit Brandenburg recently joined the ICE group on a Feodor-Lynen research fellowship of the Alexander von Humboldt foundation. He will work in close collaboration with Prof. Sally (L) Price bringing together the expertises in state-space sampling and hierarchical electronic structure modeling for the project “Towards a New Paradigm in Molecular Crystal Polymorph Prediction”.
crystal structure prediction



INCITE grant awarded for quantum Monte Carlo project!

The proposal titled “New Frontiers for Material Modeling via Machine Learning Techniques with Quantum Monte Carlo” was awarded a 2019 Innovative and Novel Computational Impact on Theory and Experiment (INCITE) grant by the U.S. Department of Energy’s Office of Science. The project lead by Dario Alfè and in collaboration with Gábor Csányi in Cambridge involves […]


Welcome new ICE group members!

We are happy to welcome some new people who joined the group over the last few weeks. Tai is doing a postdoc in a joint UCL – BP project. Fabian is sharing his PhD time between UCL and Imperial College. Michael already did his Master project in our group and is now continuing his work […]


Martin finished his viva!

Congratulations to Martin, who finished his viva last week! His work focused on ice nucleation, in particular on finding descriptors that indicate good ice nucleating agents and the role of dynamical heterogeneity in homogeneous ice nucleation.


The ICE group survived Hever!

Yesterday morning’s adverse weather conditions (to put it mildly) made the triathlon even more challenging. The swimmers had to cope with very cold water, the hilly bike track was dangerously slippery and the running track was mostly covered in mud. Undeterred, both teams completed the triathlon – soaking wet (even the ones that didn’t swim!) […]


Single-atom alloy Perspective made it onto the JPCL cover!

The next issue of The Journal of Physical Chemistry Letters will feature cover art from the perspective article ‘Lonely Atoms with Special Gifts: Breaking Linear Scaling Relationships in Heterogeneous Catalysis with Single-Atom Alloys’ by Matthew T. Darby, Michail Stamatakis, Angelos Michaelides, and E. Charles H. Sykes. The cover depicts the atomic structure of a so-called […]


The ICE group is Triathlon-ing for WaterAid again!

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, while Andrea, his wife Sara, and Patrick will compete over the Olympic distance. The ICE group is not only trying […]

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Open Postdoc position

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 apply, click here.


Welcome Sam and Piero!

The ICE group is happy to welcome Sam Azadi and Piero Gasparotto, who joined us last month. The weather appeared eager to welcome them warmly as well, and we hope their time here will be as enjoyable and successful as the first month promised it to be.


Michael wins prize for his Final Year MSci presentation!

Michael won a prize for the Best Final Year MSci presentation in the Condensed Matter and Materials Physics (CMMP) group for his project on ice nucleation titled “Achieving Cubic Ice”. Congratulations!


2 PhD positions available

Two PhD positions are available in the ICE group. The projects are aimed at applying and developing computer simulation approaches to better understand the formation of ice.


Group gatherings