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The United Kingdom Car-Parrinello Consortium (UKCP) is a group of researchers across the UK who develop `first principles' quantum mechanical techniques for studying atomistic systems and apply them to a very wide variety of systems.

UKCP is currently funded as a High-End Consortium by the Engineering and Physics Sciences Research Council (EPSRC).

Consortium News

  • PhD studentship available
    A fully-funded PhD place is available in Birmingham, UK to work with UKCP member Dr Andrew Morris on the Computational Structure Prediction of Energy Materials. More details are available here.
  • Post-doctoral positions available
    1-2 post-doctoral posts are available in Tsukuba, Japan to work on the CONQUEST program. The post(s) are initially for 1 year, with the possibility of renewal. The work will be carried out in close collaboration with UKCP member Prof. Dave Bowler (see job advert here for details).
  • Atomic scale materials microscopy: theory meets experiment
    UKCP and Psi-k sponsored the "Atomic scale materials microscopy: theory meets experiment" workshop, held from 26th-28th June 2017 at the National Railway Museum in York. The event drew around 40 attendees from across the EU as well as the USA, and featured a range of cutting-edge modelling and experimental techniques.
  • UKCP Consortium secures £5M funding from EPSRC
    UKCP have been awarded a new, 4-year grant by EPSRC. As well as supporting Consortium meetings, it provides funding for training and workshops, research software engineering support, summer student internships and computer resources on the UK national computing facility ARCHER.
  • CASTEP Training Workshop
    UKCP sponsored the CASTEP Training Workshop, held in the University of Oxford from the 15th-19th August. This workshop had a particular focus on simulations of spectroscopic properties of materials, especially Nuclear Magnetic Resonance (NMR), vibrational (IR, Raman, INS) spectra, and crystal structure prediction with the Ab-initio Random Structure Searching (AIRSS) method.
  • Reproducibility in density functional theory calculations of solids
    An important community-led study into the reproducibility of first principles materials simulations with different programs has been published in Science. The co-authors include many UKCP members, and the UKCP code CASTEP was one of the software packages included in the study.
  • Joint MCC-UKCP-EPCC Workshop on Ab initio Periodic Codes
    UKCP worked with the Materials Chemistry Consortium and the Edinburgh Parallel Computing Centre to hold a joint training workshop on Ab initio Periodic Codes. Nearly 40 participants attended to learn advanced usage of six different ab initio programs, including CASTEP and ONETEP.

Archived news

UKCP is funded by EPSRC