Imperial College London


Faculty of EngineeringDepartment of Materials

Professor of Theory and Simulation of Materials



+44 (0)20 7594 6753a.horsfield




Bessemer B331Royal School of MinesSouth Kensington Campus





  1. Structural materials for hydrogen fusion powerplants (study of materials under irradiation)
  2. Corrosion (simulation of aqueous corrosion, primarily of Mg)
  3. Density Functional Tight Binding (implemented in the program Plato -- see below)
  4. Single molecule chemical sensor (based on the vibrational theory of olfaction)

Other Site

Information about my research can be found at

Nanoscience and Nanotechnology


I am an author of the tight binding program Plato. It is hosted in a private repository on github ( If you have question about this program, or would like to be granted access to the repository, please contact me by e-mail. Some information about Plato can be found on Wikipedia.


Dr T N Todorov, Queen's University Belfast; Professor Matthew Foulkes, Physics at Imperial College; Professor Mike Finnis Materials and Physics at , Imperial College; Dr Andrew Horsfield, Materials at Imperial College; Dr Daniel Mason, Physics at Imperial College; Mr Chris Race, Physics at Imperial College, Imperial College London and Queen's University Belfast, Electronic excitations during radiation damage of metals, 2005 - 2010

Guest Lectures

Materials Modelling in Nuclear Energy Environments: State of the Art and Beyond, CECAM, Zurich, Switzerland, 2010

Window on Science, US Air Force, Wright-Patterson Base, Ohio, USA, 2009

Semiochemistry, UK Semiochemistry Network, Cambridge, 2009

Materials Modelling Lab Seminar, Department of Materials, Oxford University, Oxford, 2009

Thomas Young Centre Soiree, Thomas Young Centre, Kings College London, 2008

4th International Conference on Materials for Advanced Technologies, Singapore Materials Research Society, Singapore, 2007

Quantum Transport and non-adiabatic electron evolution from first principles approaches, CECAM, Lyon, France, 2006

Research Staff


Research Student Supervision

Li,B, Corrosion of Mg

Li,M, Single molecule chemical sensors

Wells,T, Spin-lattice coupling in magnetic materials

Xie,Q, Machine learning tight binding