Archive

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.
  • 2017 CASTEP Advanced Developer Workshop
    UKCP sponsored the CASTEP Advanced Developer Workshop, held in the University of Oxford from the 15th-18th August 2017. This workshop covered the principles of modern software engineering, the CASTEP design and philosophy, as well as practical aspects of CASTEP developments, and all attendees had the opportunity to work on mini-projects to contribute code to CASTEP.
  • 2017 CASTEP Training Workshop
    UKCP sponsored the CASTEP Training Workshop, held in the University of Oxford from the 14th-18th August 2017. 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.
  • 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.
  • N8 HPC Network Event – New Horizons in Atomistic Simulation of Materials
    UKCP, together with CCP5 and N8 HPC, sponsored the N8 HPC Consortium network meeting "New Horizons in Atomistic Simulation of Materials", held at the Bar Convent, York on the 5th January 2018. There were 4 invited talks and 7 contributed talks, and the event drew nearly 60 attendees from across the UK and Europe.
  • 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.
  • 2016 CASTEP Training Workshop
    UKCP sponsored the CASTEP Training Workshop, held in the University of Oxford from the 15th-19th August 2016. 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.
  • 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.
  • Post-doctoral positions available
    Two post-doctoral posts are available in UKCP groups, to extend the ONETEP program to study excited states of systems in complex environments. One post is located in the Theory and Simulation of Materials group at Imperial College London (see job advert here for details), and the other at the Theory Group of the Department of Physics at the University of Warwick (see job advert here for details). The closing date for applications is the 9th June 2017.
  • 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.'
  • 2015 CASTEP Advanced Developer Workshop
    UKCP co-sponsored the first CASTEP Advanced 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.
  • 2015 CASTEP Training Workshop
    UKCP co-sponsored the 2015 CASTEP Training Workshop, held in the University of Oxford from the 17th-21st August. This workshop had a particular focus on 2-dimensional materials, Nuclear Magnetic Resonance (NMR), vibrational (IR, Raman, INS) spectroscopies as well as Ab-initio Random Structure Searching (AIRSS).
  • 2014 Swan Medal awarded to Prof. Mike Payne
    The Institute of Physics has awarded UKCP member Prof. Mike Payne the 2014 Swan Medal for `the development of computational techniques that have revolutionised materials design and facilitated the industrial application of quantum mechanical simulations.'
  • 2014 CASTEP Training Workshop
    UKCP co-sponsored the 2014 CASTEP Training Workshop, held in the University of Oxford from the 18th-22nd 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.