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12 Jul 2024: Search site. The ICE Group. Beyond-DFT Methods. Density functional theory (DFT) is the workhorse of computational materials science. In principle it is exact but in practice it relies on an approximation for how electrons interact with each other.

12 Jul 2024: Search site. The ICE Group. Our deep learning method — “IcePic” — to predict a materials ice nucleation ability has been published in PNAS. From glaciers, to cryopreservation, to climate modelling – the ability of materials to promote ice

12 Jul 2024: Search site. The ICE Group. Stable Two-Dimensional Radioactive Films: An Atomic-Scale Picture. 25/02/2016. Two dimensional radioactive films are a new and exciting system to study nuclear decay at the atomic level with applications in a variety of

12 Jul 2024: Search site. The ICE Group. Prize: Psi-k Poster Prize for Niamh! The group is proud of Niamh for winning the prize for best poster in theme C of the Psi-k prize. You can see her winning poster below. News Links. Yusuf Hamied Department of Chemistry.

12 Jul 2024: Search site. The ICE Group. Group: Welcome to Dr. Paramvir Ahlawat. We welcomed a new postdoctoral researcher today - Paramvir Ahlawat, who recently finished his PhD at EPFL, Switzerland. He comes to the group with an SNSF Postdoc mobility fellowship

12 Jul 2024: Search site. The ICE Group. “DMC-ICE13” – our dataset of 13 ice polymorphs lattice energies computed with diffusion Monte Carlo is on the cover in JCP! Ice is one of the most important and interesting molecular crystals, exhibiting a rich and

12 Jul 2024: Search site. The ICE Group. Publications. Tips on using this search form. All search terms are case-insensitive. If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be

12 Jul 2024: Search site. The ICE Group. Group: BBQ at Darwin College and Fabian's PhD Hat! The group held a BBQ at Darwin College today, enjoying the good weather and a punt trip through The Backs. This also gave several new members (Paramvir, Xavier and

12 Jul 2024: Search site. The ICE Group. Group: Anna and John’s MSci Graduation! The group congratulates Anna and John on graduating from their MSci in Chemistry last summer! Anna is staying in the group for her PhD as a co-supervised project with Steve Cox,

12 Jul 2024: Search site. The ICE Group. Group: Surfaces and Materials Symposium and Howard Castle Triathlon. The group hosted the Surfaces and Materials Symposium at York this weekend on Friday and Saturday for current and former members as well collaborators.