Materials and Molecular Modelling (MMM) crosses traditional disciplines of physics, chemistry, materials science, nanotechnology, biophysics, earth sciences, life sciences, chemical-, mechanical, and more. The MMM Hub drives science forward in each of these disciplines. By speeding up and improving the quality of the predictions, the Hub benefits the entire international MMM community and our experimental and industrial collaborators.
The Hub hosts the high performance computing facility named Young (grant number EP/T022213/1), composed of 23,040 cores built on HPE dual 20 core Intel x86-64 nodes, 6 x 8 Nvidia A100 GPU and dual AMD EPYC 7543 32-core nodes (grant number EP/W032260/1), designed to support small to mid-sized materials and molecular modelling simulations of 2-5 nodes.
70% of Young is reserved for Tier-2 use by MMM Hub partners who are contributing towards the running costs of the facility. The other 30% of the machine (up by 5% from phase 1) is available free of charge to materials and molecular modelling researchers from anywhere in the UK.
Young is a renewal of the original Thomas facility. Thomas was a 17,000 core machine based around Lenovo 24 core Intel x86-64 nodes. It was designed to support small to medium sized capacity computing focusing on materials and molecular modelling.
The MMM Hub Tier 2 national supercomputing centre is the result of a £4.5m and £4m grant awarded by the Engineering and Physical Sciences Research Council (EPSRC) to two consortiums of partners. 'Young' is operated through the partnership of nine leading UK-wide universities (UCL, Imperial College London, King's College London, Queen Mary University of London, the University of Southampton, Queen's University Belfast, Brunel University London, the University of Lincoln and the University of Reading).
https://www.ucl.ac.uk/news/2020/feb/ucl-host-national-supercomputer-centre
Researchers in the Hub are carrying out groundbreaking research to better understand the properties of existing and new materials.
The Hub runs a broad range of materials modelling, training, community building and outreach events in partnership with the Thomas Young Centre.
The Hub hosts the Young HPC facility with 70% of the machine reserved for MMM Hub partners.
Acknowledging the use of the MMM Hub in publications: All work arising from this facility should be properly acknowledged in presentations and papers with the following text: “We are grateful to the UK Materials and Molecular Modelling Hub for computational resources, which is partially funded by EPSRC (EP/T022213/1, EP/W032260/1 and EP/P020194/1)”
A high-resolution version of our logo, for use in talks or on posters can be found here.
