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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

  • Post-doctoral post available in modelling hybrid perovskites
    A post-doctoral research associate position is available in the research group of UKCP member Dr Paul Bristowe. Further details are available here.
  • Three PhD studentships available
    Three funded PhD studentships are available in the research group of UKCP member Prof. Chris-Kriton Skylaris. Further details are available here.
  • 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.
  • N8 HPC Network Event – New Approaches to Atomistic/Quantum Simulation of Materials
    UKCP, together with CCP5, sponsored the N8 HPC Consortium network meeting "New Approaches to Atomistic/Quantum Simulation of Materials", held at the Bar Convent, York on the 8th January 2016. There were 6 invited talks and 6 contributed talks, and the event drew nearly 60 attendees from across northern England.
  • 2015 Rayleigh Medal awarded to Prof. Chris Pickard
    The Institute of Physics has awarded UKCP member Prof. Chris Pickard the 2015 Rayleigh Medal and Prize for `his development of new theories and computational tools for the first principles investigation of matter.'
  • Advanced CASTEP Developer Training Workshop
    UKCP sponsored the Advanced CASTEP Developer Workshop, held in the University of Oxford from the 18th-21st August. Topics included:software design principles; code structure; and parallelism and efficiency, and there were also practical sessions with the opportunity to work alongside CASTEP developers.

Archived news

UKCP is funded by EPSRC