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6 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.

6 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

6 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

6 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.

6 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

6 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

6 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

6 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

6 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,

6 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.

6 Jul 2024: Search site. The ICE Group. Outreach. We regularly post videos of our research onto our youtube channel with some popular videos found below. Additionally, we may also periodically write up short pieces (as well as research highlights) of our

6 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

6 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

6 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

6 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

6 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

6 Jul 2024: Search site. The ICE Group. Group: n-AQUA workshop. Last month Cambridge hosted the second n-Aqua workshop, where we welcomed our collaborators from Paris (in-person) and Mainz (virtually) for 3 days of exciting discussions on nanoconfined water. We

6 Jul 2024: Search site. The ICE Group. Professor Angelos Michaelides FRS. 1968 Professor of Chemistry. I joined the Department in 2020 as the 1968 Professor of Chemistry. See the following link for more information. Our research involves computer simulations

6 Jul 2024: Search site. The ICE Group. Group: Fabian passed his viva! Congratulations to Fabian, who had his PhD viva and passed on Tuesday! Fabian's PhD involved the development of machine learning potentials based on high-quality ab initio reference data to

6 Jul 2024: Search site. The ICE Group. Prize: Holy Moly! Fellow of Royal Society for Angelos! We are immensely proud to congratulate Angelos for being elected as a Fellow of the Royal Society. This honour has been granted in acknowledgement of Angelos'