Overview
- Structural materials for hydrogen fusion powerplants (study of materials under irradiation)
- Corrosion (simulation of aqueous corrosion, primarily of Mg)
- Density Functional Tight Binding (implemented in the program Plato -- see below)
- Single molecule chemical sensor (based on the vibrational theory of olfaction)
Other Site
Information about my research can be found at
Nanoscience and Nanotechnology
Plato
I am an author of the tight binding program Plato. It is hosted in a private repository on github (https://github.com/ImperialCollegeLondon/Plato). 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.
Collaborators
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
Fogarty,R
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