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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

  • Materials and Molecular Modelling for Exascale Computing
    UKCP are partners in the recently-awarded "Materials and Molecular Modelling Exascale Design and Development Working Group". This working group brings together the UK materials and molecular modelling community with an international team of experts, in order to plan and prepare to deliver simulations on future exascale high-performance computers. This project is part of Phase 1 of the UK's ExCALIBUR project.
  • CASTEP Community Conference 2020
    Unfortunately the 2020 CASTEP Community Conference has had to be cancelled this year due to the poor public health situation with COVID-19. The next CASTEP Community Conference is planned for spring 2021.
  • ONETEP Annual Karl Wilkinson prize competition
    The ONETEP Developers Group invites applications for the annual Karl Wilkinson prize. The prize is awarded for either a method development or application with the ONETEP linear-scaling first principles quantum mechanics program that, in the opinion of the ODG, is expected to contribute most strongly to the advancement of electronic structure theory and its applications. The winner will receive a £250 award and a certificate signed by the members of the ODG. The prize winner will be invited to give a lecture at the next ONETEP Masterclass. Full details, including eligibility requirements, may be found here.
  • PhD studentship available
    Applications are invited for a four-year EPSRC industrial CASE PhD studentship to work in the Skylaris group (University of Southampton) on large-scale first principles quantum simulations of battery materials for electric vehicles. The project will be co-supervised by Professor Chris-Kriton Skylaris and Dr Denis Kramer (Southampton) and Dr Felix Hanke (Dassault Systèmes, Cambridge) and will be based in Southampton with substantial placements at the industrial partner in Cambridge. Full details are available here.
  • ONETEP Masterclass 2019
    The Onetep Developers Group will be holding a ONETEP Masterclass at the Arden Conference Centre, at the University of Warwick, Coventry, United Kingdom, from 27th to 30th August 2019. The Masterclass is open to new users and experienced users alike. Please click here for more information.
  • New UKCP RSE announced
    It is our pleasure to announce that Dr Peter Byrne will be taking up the UKCP Research Software Engineering post from summer 2018. Peter has extensive experience in RSE, and has worked on a range of RSE projects including the implementation of the DFPT Raman spectroscopy code in CASTEP.
  • UKCP RSE Phil Hasnip awarded prestigious RSE Fellowship
    UKCP Research Software Engineer Phil Hasnip has been awarded a 5 year EPSRC RSE Fellowship, to start in April 2018. A significant portion of the Fellowship is focused on developing the UKCP core code CASTEP, with a particular emphasis on improving its software sustainability, performance and functionality. The UKCP consortium is a project partner on the Fellowship.

Archived news

UKCP is funded by EPSRC