Email: portico-services@ucl.ac.uk
Help Desk: http://www.ucl.ac.uk/ras/portico/helpdesk
- Professor of Computational Chemistry and Physics
- Dept of Chemistry
- Faculty of Maths & Physical Sciences
After graduating from the University of Bristol and then the University of Bath, I became a research associate at the Royal Institution of Great Britain working with Professors Richard Catlow, Julian Gale and Peter Battle.
After moving to University College London, I have established my own research group, have been elected to serve on the committee for CCP5 (twice) and the BACG, have been part of the procurement and bench-marking team for national computer resources and, currently, deputy director of the Centre for Doctoral Training in Molecular Modelling and Materials Science (M3S), Point of Contact and Co-I of the Tier-2 HEC (Thomas) based at the MMM Hub, and lead UK's HEC Materials Chemistry Consortium.
My research is focused on the structures and properties of materials.
My group develops, optimises and employs state-of-the-art materials software that is based on atomic and electronic levels of theory (either semi-empirical or ab initio).
Funded Projects include: SAINT (the develop of the web-based Surface and Interface Toolkit); WASP@N (development of the database and software for nanoclusters, aka. web assisted structure prediction at the nanoscale); and development and application of a new interatomic potential for sp-lone pair atoms.
CHEM0050: Topics in Quantum Mechanics (fourth year module)
Application of Variation and Perturbation Theories (including that of degenerate states).
CHEM0002-4: Quantitative Chemistry (first year modules)
Essentially mathematics for chemistry students arriving with less than A-level mathematics.
CHEM0054: Materials Modelling (postgraduate double module)
Global and Local Optimisation, Monte Carlo and Molecular Dynamics, Interatomic potentials, Vibrational and Combinatorial contributions to Free Energy.
1997 | Doctor of Philosophy | University of Bath | |
1992 | Bachelor of Science | University of Bristol |