Open PhD position: Development and application of computer simulation techniques for adsorption on graphene
Applications are invited for a 4-year PhD studentship in the area of computational materials science based at University College London (UCL).
The particular project will involve the development and application of state-of-the-art computer simulation approaches for the calculation of accurate adsorption energies of molecules on graphene.
The adsorption of atoms and molecules on surfaces is of central importance to an almost endless list of practical applications and everyday phenomena,
such as corrosion, lubrication, friction, catalysis, coatings, and sensors to name but a few.
Indeed our perception of the physical properties of materials often depends sensitively on how adsorbates interact with them:
iron, for example, easily corrodes because of its propensity to oxidise when oxygen and water molecules bind to it, whereas gold is the noblest of the elements because at room temperature almost nothing sticks to it.
In terms of understanding the properties of surfaces and the processes that occur on them, computer simulation techniques have been incredibly useful.
However, even the most sophisticated quantum mechanical approaches struggle to make accurate predictions about the adsorption of molecules on surfaces, especially for the case of weakly interacting adsorbates.
This project will rectify this situation by developing and applying state-of-the-art quantum mechanical methods for the accurate prediction of molecular adsorption energies and structures,
with a particular emphasis on adsorption of molecules on graphene.
The student will work as part of the interdisciplinary ICE research group, which is based at the London Centre for Nanotechnology at UCL and headed by Professor Angelos Michaelides.
The PhD will also be part of the Materials Modelling and Materials Science Doctoral Training Centre.
The studentship is open to UK and EU graduates with a good degree in Chemistry, Physics, Materials Science or a related subject.
If you wish to apply for the studentship, please send your CV and a covering letter to Prof. Angelos Michaelides.
Closing date for applications: Friday 29th June 2012