Prof. Stewart Clark 

| Jobs/PhD Studentships | About me | Research Interests | PhD Students Theses | The Castep Code | Undergraduate Teaching |

This is me half way up a mountain (the most likely place to find me at the weekend).

Contact Details:

tel: +44 (0)191 334 3572 

fax: +44 (0)191 334 5825

Department of Physics,
University of Durham,
Science Labs,
South Road,
Durham DH1 3LE,


PhD Studentships:

If you are interested in applying for a PhD place in electronic structure calculations, density functional theory and related topics then please contact me by email.

About Me

A list of my publications can be found here.

I studied maths and physics for my undergraduate dergee at the University of Aberdeen. Here is a picture of me in 1991 with my graduating maths class outside the Maths Department in Aberdeen. If you are in the photo then email me so say hello!

I then did my PhD in theoretical physics at the University of Edinburgh from 1991-1994. My PhD thesis Complex Structure in Tetrahedral Semiconductors is on-line . If you would like a copy of my thesis as a postscript file (easier than downloading all those html files) then send me an email and I'll send you the file.

From 1994 until 1997 I was a post-doc in Edinburgh. In 1997 I moved to the University of Durham as Lecturer in Physics, and subsequently Reader and then Full Professor in Physics.

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Research Interests

I have a number of research interests, most of which are based around computer simulations using ab initio quantum mechanical methods. Most of my work is performed using the CASTEP code which I write/develop as part of the Castep Developers Group.

A list of my recent publications is here, many of which can be downloaded in either *.pdf format or gzipped postscript. Much of my work is covered by the following list:

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Some of my PhD students' work

I've put the PhD theses of some of my recent PhD students (with their permission - thanks Phil, Dave, Paul and Mike!) on-line here.
  • David Cheung's work was on "Structure and properties of liquid crystals and related molecules from computer simulation" which can be found here.
  • Philip Rushton's thesis called "Towards a non-local density functional description of exchange and correlation" can be found here.
  • Paul Tulip's thesis concerning DFPT (linear response theory) called "Dielectric and lattice dynamical properties of molecular crystals via density functional perturbation theory: Implementation within a first principles code" can be found here.
  • Michael Gibson's thesis about non-local density functional theory, in particular the screened exchange method called "Implementation and Application of Advanced Density Functionals" can be found here.
  • Dominik Jochym's thesis concerning non-local exchange correlation functionals based on the density called "Development of Non-Local Density Functional Methods" can be found here.
  • Dawn Geatches' thesis concerning the interactions and chemical reactions between clays and molecules called "Clay Minerals and their Gallery Guests: an ab initio investigation into their interactions" can be found here.

  • Finally my own PhD thesis "Complex structures in tetrahedrally bonded semiconductors" can be found here.

    If you would like a postscript copy of a thesis then let me know by email ( and I'll send you a copy. Note that the copyright remains with the author of the thesis, so if you use any of the work or results please make the appropriate acknlowledgement and reference.
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    The CASTEP code

    Castep is a serial/parallel code for performing ab initio DFT calculations of solids, liquids, gases, surfaces, etc at the atomic level. One can obtain electronic structure, geometric structure (atomic positions and lattice parameters), phonon dispersion and vibrational density of states, finite temperature MD results, electric field perturbations, etc..... LDA, many GGAs and some non-local XC functionals are implemented.

    It was coded by the Castep Developers Group (CGD) consisting of myself, Chris Pickard, Phil Hasnip, Matt Probert, Matt Segall, Keith Refson and Mike Payne. Here is a photo of some of us at the 2001 Castep workshop in Durham held in a very cold week in December!

    A list recent publications using the CASTEP ab initio electronic structure code can be found here.

    Castep Workshops: Workshops aimed at PhD students and those starting in the field of ab initio calculations are held regularly (including Durham). For details on the courses and lecture notes then go to the Castep web site  and follow the 'Workshops' link for details.

    Recently the Castep Developers Group went to the fantastic Towler Institute in northern Italy to develop and implement more features in Castep. I highly recommend organising a conference there!

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    Undergraduate Teaching

    Details of these courses (for users only) can be found on the Durham University On-line (DUO) web pages.
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