Accessibility statement

Matt Probert



BSc, PhD (Birmingham), CPhys, FInstP

Summary of expertise

  • Density Functional Theory
  • Structure and Dynamics of Solids and Liquids

Departmental roles

  • Chair of Maths and Physics Executive Committee
  • Department colloquium organizer
  • Theoretical Physics champion

University roles

  • Member of Standing Academic Misconduct Panel
  • Member of Sciences Advisory Panel for Promotions
  • UoY rep on N8 HPC Steering Group



Research group: Condensed Matter Physics


CASTEP is a widely used general purpose materials modelling computer program. It is developed by a team of UK Academics of which Matt Probert and Phil Hasnip are two of the leading authors.

The research within the group is based around either

  • theoretical / algorithmic developments within CASTEP, such as Density Functional Theory or new approaches to molecular dynamics or structure optimization / prediction, etc.
  • applications of CASTEP to different systems, such as defects in semiconductors, spintronic materials, phase diagrams of materials, electronic spectroscopy of graphene, etc

Research group(s)

  • Dr. Phil Hasnip
  • Mr Aaron Hopkinson
  • Mr Ed Higgins
  • Mr Jacob Wilkins
  • Mr Jack Shepherd
  • Mr Genadi Naydenov


Support for the UKCP Consortium (April 2017 - March 2021)

This is one of EPSRC flagship High End Computing consortia, and links together 21 different research groups within the UK that have a common interest in using computer simulation based upon highly accurate quantum mechanics, to study the properties of materials.

Matt Probert

Department of Physics
University of York
YO10 5DD
Tel: +44 (0)1904 322239
Fax: +44 (0)1904 322214
Web: Personal page
Room: P/A021



  • Year 2 - Computational Physics Laboratory
  • Year 4 - High Performance Computing


First Principles Modelling

Other teaching

  • HPC Autumn Academy
  • Materials Modelling at the University of Lille, France

External activities


  • IoP: FInstP, CPhys
  • Member of EPSRC HPC SAC
  • Chair of EPSRC CoSeC Steering Committee
  • Member of CCP Steering Panel
  • Visiting Professor at the University of Lille, France

Editorial duties

  • Referee for IoP, APS and ACS journals
  • Grant reviewer for EPSRC, DoE (USA), SNSF (Switzerland), NRF (South Africa)