prof michael gillan
- Prof
- Michael
- John
- Gillan
- Prof Michael Gillan
- Ex: 37049
- m.gillan@ucl.ac.uk
- https://iris.ucl.ac.uk/iris/extResource/image/01/MJGIL49
- 2009-10-01
- HONEME
- 2009-10-01
- 1
- Emeritus Professor of Physics
- MJ
- Dept of Physics & Astronomy
- MPS
- Faculty of Maths & Physical Sciences
- RESPRA
- 2009-11-01
- 0.38
- Principal Research Associate
- MW
- London Centre for Nanotechnology
- MPS
- Faculty of Maths & Physical Sciences
- 2009-10-01
Research Summary
My research has all been concerned with the theory of condensed matter, with a strong emphasis on computer simulation. This really started at Harwell, where I learned how to do molecular dynamics simulation, and worked on fast ion conduction in uranium dioxide and other materials. In 1997, inspired by a now famous paper by Car and Parrinello, I started to put a major effort into computer modelling based on electronic structure techniques. My collaborators and students at UCL use a range of simulation techniques to tackle a number of scientific problems, including the properties of materials in the Earth's deep interior, semiconductor nanostructures, and the surface chemistry of oxide materials. Our group belongs to several UK consortia of national supercomputer users, including the UK Car-Parrinello consortium, the Materials Chemistry consortium, and the Minerals Physics consortium.
Assessing the accuracy of quantum Monte Carlo and density functional theory for energetics of small water clusters
Constraints on the phase diagram of molybdenum from first-principles free-energy calculations
Adsorption of a water molecule on the MgO(100) surface as described by cluster and slab models
Bulk and surface energetics of crystalline lithium hydride: Benchmarks from quantum Monte Carlo and quantum chemistry
Ab initio statistical mechanics of surface adsorption and desorption. II. Nuclear quantum effects
Ca-intercalated graphite as a hydrogen storage material: stability against decomposition into calcium hydride and graphite
Ab Initio Simulations of the Interaction between Water and Defects on the Calcite (10(1)over-bar 4) Surface
Academic Background
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Award YearQualificationInstitution
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1968DPhilUniversity of Oxford
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1965BAUniversity of Oxford
Biography
I always wanted to do physics, and was fortunate to be encouraged by outstanding teachers of maths and mechanics at school in London . I went on to study physics at Oxford University , and then did a D. Phil. there in the Department of Theoretical Physics, supervised by Dr. Bill Parry. Following the fashion at that time, I went to do a post-doc in the U.S. , working with Woods Halley at the University of Minnesota in Minneapolis . I was enticed back to the U.K. by the offer of a permanent position at Harwell, where I spent a happy and productive 18 years, starting in 1970. Then, in 1988, I was offered and accepted a chair in theoretical physics at the University of Keele – they were taking a major risk, since I had virtually no teaching experience at that time! After 10 years there, I very much wanted to return to my London roots, and was extremely happy to have the chance of coming to the Physics and Astronomy Department at UCL.
- CMR
