HPC Materials Chemistry Consortium

Notice Board (last updated: 12th February 2016)

Materials Chemistry Conference Our second conference will be held in Cardiff from Wednesday lunch 6th April - Friday 8th April 2016. To register and for more information please click here.
We thank all project leaders and their group members for supporting these events where we demonstrate to an international panel the wide variety of HPC research in each of our themes.

Requests for Interim Proposals now open - see below

Acknowledgements: When publishing work that benefited from resources allocated by the MCC: please include the following acknowledgment 'Via our membership of the UK's HEC Materials Chemistry Consortium, which is funded by EPSRC (EP/L000202), this work used the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk).'

If space is limited, please ensure the name of the HEC platform, the phrase "Materials Chemistry Consortium" and *most importantly* the EPSRC grant number (EP/L000202) is acknowledged.

When searching the literature, older work may include references to "HECToR" and "HPCx resources" and refer to funding by EPSRC with grant references of either EP/D504872 or EP/F067496.

Next general meeting: Conference in April then new allocations in July 2016

Proposal Application Deadline for HEC Time on ARCHER: 10am Thursday 7th January 2016

Our last meeting was held at HARWELL (not in London) - usual format (although we may try to provide refreshments just after 10:30 for early arrivals). Proposals should use the standard template and be sent to me with one completed group summary form (see Applications for national HPC time). Within the latter, your group members requiring access to any time allocated must be listed as I will be removing all connections at the end of this current period. Recent publications, qualifications and destinations of your group (which resulted from a little help of ARCHER) should be added to our google form. The information for the google forms is not required on the proposals nor on the group summary form, but is very important this information is up-to-date as we need to compete our annual report to EPSRC by the 22nd January. Please remember that time requests are for simulations that will run on ARCHER between 1st February and 31st July, and that we do not expect to have any remaining time left for interims. Essentially we hope to continue spending at the rate we have done over the last 5 months.

Note that the new tighter constraints imposed on HEC consortia during phase 2 (cf phase 1) of total usage on ARCHER has resulted in a modified timetable of MCC meetings, and therefore lengths over which individual projects should run. Importantly, our total usage should be at a constant rate - trying to spend more near end of allocation periods (31 January and 31 July, as well as those determined by us) is not good practice. Any individual budget deemed to be underused, and therefore likely to have time unspent at the end of any of these allocation periods, may be reduced in order to maximise the benefit of ARCHER to our community. I will be especially critical (and proactive) if the total spend of our consortium is below that expected.

Traditional location of our meetings: University College London, within either the Ramsay Lecture Theatre, Chemistry Building or Library/Seminar room, near the roof of Kathleen Lonsdale Building: Instructions - map.

Themed and Special Issues of MCC work: We have periodically organised a special issue of a high quality journal in order to help showcase the quality and board range of research undertaken by members, which required the use of HPC resources. A big thank you to all members who submitted manuscript(s) to these, including our current special issue of PCCP (a RSC journal).


Documents (restricted access)

Example agendas: July 15 July 14 Apr 14
May 13 Oct 11 Nov 10 May 10 Dec 03

New Users click here

The Consortium / Research Highlights


Hector (2007-13)

HPCx (2003-06)

Our Final Report for CSAR

An alternative photographic insight

Our Published Research

J Mat Chem 16 20 2006
Overview Contents (1.6Mb)

Roy Proc A July 2011
Overview Contents

Recent Publications

Presentations (2007-2013)