MMM Hub Conference & User Meeting 2020

The Materials and Molecular Modelling (MMM) Hub (the UK’s national centre for materials and molecular modelling) and the Thomas Young Centre will hold the MMM annual Conference and User Meeting on the 8th and 9th September 2020 at the University of Southampton.  Set in one of the UK's greenest cities which is known for its waterfront and maritime heritage, 2020’s venue is situated close to the New Forest and areas of outstanding natural beauty.

Tues 8 - Wed 9 September 2020
Time: 11:00 - 16:30
Venue: Centenary Building, University of Southampton
Contact: Karen Stoneham / Chris Kriton-Skylaris
Tel: 0207 679 7306

This key international meeting will gather pioneers in the materials modelling and theoretical chemistry community, to discuss the development and application of state of the art simulation techniques to solve problems in areas such as advanced materials, soft matter, catalysis, biomolecular simulations, multi-scale modelling, materials discovery and design, and electronic structure and software development, addressing challenges to society and industry through simulation at the atomic scale, alongside trends in architectures of computing and how this impacts materials scientists.


2020 will see 14 keynote and invited speakers reveal a selection of the breakthrough materials and molecular modelling research taking place across the country, as a direct result of the existence of the consortiums Tier 2 supercomputer “Thomas”.  We will invite contributed talks from the community, and display a collection of posters composed by users of the MMM Hub.


The meeting will provide an excellent opportunity for researchers at all levels to learn about the forefront of this important field and to showcase their most recent results.




Vassiliki-Alexandra Glezakou, PNNL

Maia Vergniory, Donostia International Physics Center

Sivan Refaely-Abramson, Weizmann Institute of Science



Maria Alfredsson, University of Kent

Rachel Crespo-Otero, Queen Mary University of London

Clotilde Cucinotta, Imperial College London

Graeme Day, University of Southampton

Claire McIlroy, University of Lincoln

Bartomeu Monserrat, University of Cambridge

Elton Santos, Queen’s University Belfast

Edward Smith, Brunel University London

Michail Stamatakis, University College London

Zuowei Wang, University of Reading

Cedric Weber, King’s College London


Users of the Thomas HPC facility are encouraged to attend and to present their most exciting research results obtained on Thomas. As in previous years, the expert team who manage Thomas will host an on-site 'Thomas Helpdesk' where you will be available to discuss all aspects of this essential HPC resource.  Delegates can approach the Helpdesk with inquiries about job submission, scheduling, code compilation, datasets, software installation, disk quotas, data usage and more.  Representatives from hardware manufacturers Intel and Lenovo will be on hand throughout the meeting.


We welcome applications for contributed talks and posters: the deadline to submit your abstract is Friday 29th May 2020.  Submitted abstracts for posters and talks will be reviewed, and accepted abstracts will be notified during the third week of June.  Maximum abstract length is 300 words.  Submit your abstract here



Registration for the conference will be open in due course - look out for email announcements, notices in the Thomas Young Centre weekly newsletter.

Please complete registration before Friday 19th June 2020 to secure your place at the conference. 

We are offering 1 night on-campus accommodation for an additional £40 - this can be arranged when registering for your place at the conference.


Key Dates:

-              The conference will run between 8 - 9th September 2020

-              Deadline to submit contributed talk / poster abstract – Friday 29th May 2020

-              Deadline for conference registration – Friday 19th June 2020


Contact details

For enquiries please contact the MMM Hub Coordinator at tyc-administrator@ucl.ac.uk



George Booth, TYC, King's College London

Nicholas Bristowe, University of Kent

Georgina Ellis, OCF Plc

Devis Di Tommaso, Queen Mary University of London

Ricardo Grau-Crespo, University of Reading

Owain Kenway, University College London

Chris Kriton-Skylaris, University of Southampton

Angelos Michaelides, TYC University College London

Bartomeu Monserrat, University of Cambridge

Laura Ratcliff, Imperial College London

Elton Santos, Queen’s University Belfast

Edward Smith, Brunel University London

Ms Karen Stoneham, TYC, University College London

Matt Watkins, University of Lincoln



The MMM Hub Conference and User Meeting is kindly sponsored by the Thomas Young Centre, the United Kingdom Car-Parrinello Consortium (UKCP), CCP9, OCF Plc, Lenovo and Intel Corporation


Follow @tyc_london for updates from the Thomas Young Centre.