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HetSys Student Success at the Midlands Computational Chemistry Meeting 2022

We are delight to announce that three HetSys students were awarded prizes at the recent Midlands Computational Chemistry Meeting held in Manchester.

This meeting, organised by the Chilton Group in the Department of Chemistry at The University of Manchester is designed for PhD students and PDRAs to present talks and posters as well listen to keynote talks from notable academics in the field of Computational Chemistry.

Joe Gilkes (Cohort 2) was awarded first poster prize for: Stacking the odds: Distribution-biased generative deep learning for targeted design of organic electronics

Omar Adesida (Cohort 2) was awarded second poster prize for: Exploring the Phase Space of Hard Sphere Dimers Using Nested Sampling

And Idil Ismail (Cohort 1) was awarded second prize for her talk: High throughput screening of mechanistic hypotheses using machine learning and multi criteria decision making

Tue 07 Jun 2022, 16:29

HetSys-WCPM Keynote Seminar: Building Useful Machine-Learned Interatomic Potentials

On Monday 30th May, HetSys looks forward to welcoming Gus Hart (BYU) to give the Keynote Seminar: Building Useful Machine-Learned Interatomic Potentials

All are welcome, please sign up via the website.

Thu 19 May 2022, 17:34

In conversation with Tom Hudson

We caught up with Tom Hudson to discuss his exciting PhD project "Data-driven modelling of irradiation induced defects in fusion materials" in partnership with the UKAEA, based at the Culham Centre for Fusion Energy, which is available for entry in 2022.

Nuclear fusion promises to deliver an unlimited supply of clean, green energy, of paramount importance to help address the climate emergency. There have been recent successes in generating fusion energy – notably at the UK Atomic Energy Agency (UKAEA) reactor at Culham where record-breaking fusion energy production was demonstrated earlier this year. However, a major barrier to the wider adoption of fusion remains: the materials used to build a fusion reactor need to withstand bombardment from high-energy radiation. In the case of metals, irradiation damage can be pictured in terms of the accumulation of dislocation loops which self-organise into complex microstructures, changing the mechanical properties of the material. To predict this phenomenon accurately, new models are needed. This project will therefore focus on developing a new mathematical framework to connect discrete atomistic models of dislocation loops to continuum differential equations.


Wed 18 May 2022, 12:16

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