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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

  • 2023 CASTEP User Training Workshop in York, UK
    UKCP are co-sponsoring the 2023 CASTEP User Training Workshop, from 18th-22nd September at the University of York. This workshop will cover the fundamentals required to use CASTEP for high-quality research simulations of a wide range of properties, from band-structures to NMR, EELS to phonons. More details are available here?.
  • CONQUEST 1.2 Released
    The CONQUEST team are pleased to announce the release of v1.2, which includes a number of new features, along with bug fixes and code polishing, and updates to the manual. CONQUEST is distributed under an MIT licence, and is available freely on Github, with the manual available at readthedocs. Follow this link for more details of this new release.
  • CASTEP Community Conference 13-14th July
    This year sees the return of the CASTEP Community Conference, this time at the University of Warwick, UK. There will be a lively informal atmosphere with invited and contributed talks, a poster session and plenty of opportunities for discussion. See here for details and registration.
  • CONQUEST version 1.1 released
    We are very pleased to announce the release of v1.1 of CONQUEST. CONQUEST is one of UKCP's core simulation codes, and version 1.1 is the first full public release. Click here for the full announcement.
  • Three Senior Computational Scientist positions available
    Three open-ended posts are available in the Theoretical and Computational Physics Group of STFC to work on "Computational Materials Physics/Chemical Physics for Facilities". Click here for more details.
  • UKCP awarded 4-years' funding
    UKCP has selected as one of the UK's High End Computing Consortia by EPSRC, and funded for 4 years. This award enables UKCP to continue developing novel density functional theory methods and applications at the forefront of high-performance materials modelling.
  • Research Associate in developing large-Scale DFT in ONETEP
    A position is available at Imperial College London for a postdoctoral research associate to develop the ONETEP linear-scaling DFT code. See here for details.
  • Research Software Engineer in exascale HPC for materials modelling
    The University of York is hiring a research software engineer to develop several materials modelling codes, including CASTEP and ONETEP, to effectively use exascale high-performance computers, as part of the PAX-HPC project (see below). Click here for more details.
  • Particles at Exascale - High Performance Computing (PAX-HPC)
    UKCP are partners in the recently-awarded "Particles at Exascale" grant. This group brings together experts in particle simulations from the materials and molecular modelling community and the cosmology and astrophysics community, to deliver effective scientific simulation software on future exascale high-performance computers. This project is part of Phase 1b of the UK's ExCALIBUR project.

Archived news

UKCP is funded by EPSRC