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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. 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. 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. “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

14 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

14 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

14 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,

14 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.

14 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

14 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

14 Jul 2024: Search site. The ICE Group. Understanding the formation of the long range chiral network of 2-butanol. 30/10/2016. The assembly of complex structures in nature is driven by an interplay between several intermolecular interactions, from strong

14 Jul 2024: Search site. The ICE Group. Structures of two dimensional ice predicted by computer simulations. 25/03/2016. Scientists at UCL and Cambridge predict new two-dimensional ice structures on the basis of state-of-the-art computer simulations. A

14 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

14 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

14 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

14 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'

14 Jul 2024: Search site. The ICE Group. Inioluwa Afolabi. Graduate student. Telephone number. 01223 336530 (shared). Email address. Research Interests. Catalysis and Gas Storage. Yusuf Hamied Department of Chemistry. Lensfield Road. Cambridge. CB2 1EW. T: 44 (0)

14 Jul 2024: Search site. The ICE Group. New paper accepted in Nature Chemistry. 10/11/2017. Our collaborative paper with Charlie Sykes, Michail Stamatakis and other entitled “PtCu Single Atom Alloys as a Coke Resistant Strategy for Efficient C-H Activation”

14 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

14 Jul 2024: Search site. The ICE Group. Nanodroplets surfing on graphene. 25/01/2016. 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

14 Jul 2024: Search site. The ICE Group. Catalysis and Gas Storage. Heterogeneous catalysis is at the heart of almost every chemical transformation to manufacture the products and materials that surround us in our daily lives. For a sustainable future we need

14 Jul 2024: Yet, as an undergraduate, things could have been very different. “I didn’t think that I would get into Cambridge but the Gates scholarship is what actually made me apply. ... I fit the criteria. “The sorts of people that the Gates scholarship

14 Jul 2024: Search site. The ICE Group. Ice nucleation showdown: Humans vs AI. Take on our ice nucleation AI machine! Time needed to complete: 5 mins. Introducing the showdown you never knew you needed. In the red corner, our all-new AI ice nucleating machine -

14 Jul 2024: She is funded by the highly prestigious Gates Scholarship and plans to use machine learning interatomic potentials trained on highly accurate Quantum Monte Carlo simulations to study molecular crystals.

14 Jul 2024: Search site. The ICE Group. Interfaces and Nanoconfinement. Interfaces define the common boundaries separating different types of matter. They are abundant in nature and find application across a range of disciplines, e.g., for biological function

14 Jul 2024: RCUK Doctoral Training Award; CHESS Scholarship; AstraZeneca Chemistry PhD Programme and if applicable USA Gates Scholarship; Gates Overseas Scholarship and Cambridge Trusts funding.

14 Jul 2024: Search site. The ICE Group. Samuel Brookes. 1st year PhD student studying as part of the ICE group and completing qualification under the Syntech CDT. Research interests revolve around the use of neural network potentials in simulating complex and

14 Jul 2024: Search site. The ICE Group. Group: Patrick has finished his PhD viva! Congratulations to Patrick, who finished his PhD viva on Thursday! We celebrated the occasion with a (virtual) group lunch today and we hope to have an in-person celebration as

14 Jul 2024: Search site. The ICE Group. Benjamin Xu Shi. See more information here. Publications. Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters. BX Shi, DJ Wales, A Michaelides, CW Myung. – Journal of chemical

14 Jul 2024: Search site. The ICE Group. Group: Farewell to Maria! The group is saddened to say goodbye to Maria today. Over the past two months, Maria has been setting up collaborations with the group to produce machine learning potentials for her complex liquid

14 Jul 2024: Search site. The ICE Group. Group: Farewell to Julia! The group is saddened to say goodbye to Julia (our last remaining member from UCL!) who is leaving to start work at the Fritz Haber Institute of the Max Planck Society. Over the past <4 years,

14 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

14 Jul 2024: Search site. The ICE Group. Dr Paramvir Ahlawat. Swiss NSF Research Fellow. Postdoctoral researcher. Telephone number. 01223 763874 (shared). Email address. Research Interests. Yusuf Hamied Department of Chemistry. Lensfield Road. Cambridge. CB2

14 Jul 2024: Search site. The ICE Group. Flaviano Della Pia. Graduate student. Telephone number. 01223 336530 (shared). Email address. Research Interests. Yusuf Hamied Department of Chemistry. Lensfield Road. Cambridge. CB2 1EW. T: 44 (0) 1223 336300. Contact

14 Jul 2024: Search site. The ICE Group. Dr Kara Fong. Research Associate. Postdoctoral researcher. Telephone number. 01223 763872 (shared). Email address. Research Interests. Yusuf Hamied Department of Chemistry. Lensfield Road. Cambridge. CB2 1EW. T: 44 (0)

14 Jul 2024: Search site. The ICE Group. Niamh O'Neill. Visitor. Telephone number. 01223 336530 (shared). Email address. Research Interests. Yusuf Hamied Department of Chemistry. Lensfield Road. Cambridge. CB2 1EW. T: 44 (0) 1223 336300. Contact Us! Email:

14 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

14 Jul 2024: Search site. The ICE Group. Xavier Rosas Advincula. Graduate student. Telephone number. 01223 336423 (shared). Email address. Research Interests. Yusuf Hamied Department of Chemistry. Lensfield Road. Cambridge. CB2 1EW. T: 44 (0) 1223 336300.

14 Jul 2024: Search site. The ICE Group. Group: Christmas activity and farewell to Tai and Grisell! 10/12/2021. The group had a fun Christmas group activity paintballing in Royston today to help cultivate team spirit and to relax from the stresses of a difficult

14 Jul 2024: Search site. The ICE Group. Group: Farewell to Venkat! We had a great evening of bowling and Indian food to say goodbye to Venkat Kapil who has done pioneering work on nanoconfined water, and has been a fountain of knowledge on all things stat mech

14 Jul 2024: Search site. The ICE Group. Group: Welcome to Dr. Grisell Diaz Leines! Monday, November 9, 2020. Today, we welcome (virtually) Dr. Grisell Diaz Leines, who has come from ICAMS at Ruhr University Bochum, Germany to start a research fellowship

14 Jul 2024: Search site. The ICE Group. Dr Julia Schumann. Alexander von Humboldt Research Fellow. Postdoctoral researcher. Telephone number. 01223 336384 (shared). Research Interests. Catalysis and Gas Storage. Yusuf Hamied Department of Chemistry. Lensfield

14 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

14 Jul 2024: Search site. The ICE Group. Group: Triathlon at Castle Howard in Support of WaterAid. The ICE group will be participating in the Castle Howard Triathlon series next weekend on the 24-25th of July. We will be sending four members (Angelos, Fabian,