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14 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.

14 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

14 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

14 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

14 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.

14 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

14 Jul 2024: Ellen Purdy: Gates Scholarship. Congratulations to Ellen Purdy, who researched her MPhil here, and has now been awarded a Gates Scholarship to complete a PhD under Professor Stephen Elliott and Dr

14 Jul 2024: Search site. The ICE Group. Nucleation and Dissolution. Here is a seemingly simple question: if you cool water to just below zero degrees Celsius will you see it turn into ice? The answer may surprise you. It is actually surprisingly difficult to

14 Jul 2024: Search site. The ICE Group. Machine Learning Potentials. Machine learning in computational chemistry has emerged as an indispensable driver for innovation. By combining the low cost of traditional empirical potentials with the accuracy of ab-initio

14 Jul 2024: Search site. The ICE Group. Pre-2020. The ICE group is moving! 4th December 2019. Angelos has accepted a position in Cambridge, and so the ICE group is moving! It’s going to be a reasonably slow multi-year phase transition. You can find more