About

The MMM Hub is the UK-wide Tier 2 Hub for materials and molecular modelling (MMM) that serves the entire UK MMM community. The Hub is strongly integrated both horizontally with other Tier 2 facilities, and vertically with ARCHER and local Tier 3 facilities, making it an integral part of the UK high-performance computing landscape. Information on other Tier-1 and Tier-2 facilities can be found here. To learn more about what materials modelling is, why it’s important, and the science that has already been produced by the Hub see our Research page.

Scroll down or jump to one of the following sections to learn more about the Hub.

Governance

The Hub is operated through the partnership of eleven of the UK’s leading universities (UCL, Imperial College London, King’s College London, Queen Mary University of London, Queen’s University Belfast, Brunel University London, the University of Kent, The University of Lincoln, the University of Oxford, the University of Reading and the University of Southampton) and OCF Plc and HPE. It is governed by a Management Board comprised of academics from the partner institutions, representatives from UCL’s research computing group (who run the Thomas facility), representatives from a Hub User Panel, and representatives from UKCP, MCC, and EPSRC.

The Management board meets termly and aims to ensure that:

  • the Hub operates effectively & fulfills HPC, training and community-building objectives through strategic leadership & oversight
  • reports are run on usage from the RCG that runs the facility, and from the Hub User Panel
  • the scheduling policy is fair, flexible and appropriate to the scientific objectives & partner contributions
  • the Hub meets the needs of the user community
  • external advice and review is sought
  • the Hub is widely promoted
Hub Management Board Members
  • Scott Woodley (Director)        
  • George Booth (Chair)    
  • Devis Di Tommaso
  • Simon Cox
  • Eric Fauvet
  • Ricardo Grau-Crespo
  • Phil Hasnip
  • Heather Kelly
  • Owain Kenway                     
  • Chris Kriton-Skylaris
  • Billy McGregor
  • Angelos Michaelides
  • Carla Molteni
  • Arash Mostofi
  • Mark Parsons
  • Edward Smith
  • Matt Probert
  • Karen Stoneham           
  • Matt Watkins
  • David Wilkins
  • UCL (also representing MCC)
  • Kings College London
  • Queen Mary University of London
  • The University of Southampton
  • HPE
  • University of Reading
  • The University of York (representing UKCP)
  • UCL
  • UCL
  • The University of Southampton
  • EPSRC
  • The University of Cambridge
  • King's College London
  • Imperial College London
  • EPCC
  • Brunel University London
  • University of York (representing N8/Bede)
  • UCL
  • University of Lincoln
  • Queen’s University Belfast
Hub User Group
A broader Hub User Group also meets quarterly in advance of the Management Board meeting. It considers how the Hub can deliver a service optimised for its users; receives usage reports from UCL’s research computing group; considers how to widen participation in the Hub from within and outside the consortium; provides advice on training needs and software requirements; commission and analyse user surveys; report to the Management Board. Chair: Heather Kelly

Annual report

Partners

The MMM Hub national Tier 2 high-performance computing centre is the result of £4.5M (Young, 2019) and £4M (Thomas, 2016) grants awarded by the EPSRC to a consortium of partners: Brunel University London, Imperial College London, Kings College London, University of Lincoln, Queen Mary University of London, Queen’s University Belfast, University of Reading, University of Southampton and University College London forming the 'Young' collaboration, and Imperial College London, Kings College London, University of Kent, Queen Mary University of London, Queen’s University Belfast, Oxford University, University of Southampton and University College London sharing partnership of 'Thomas'.

Many in the MMM Hub also have long-standing industrial collaborations (including Biovia/Dassault Systèmes, Bosch, BP, Ford, Johnson Matthey, Rio Tinto, Shell, Toyota, Rolls-Royce, AWE, Merck, Boehringer Ingelheim, AstraZeneca, Schaeffler, and more). Examples of such collaborations can be found here and you can find more information on the industrial sectors covered and services offered by the MMM community here.

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Brunel University London
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University of Reading