Details of Grant 

EPSRC Reference:	GR/R38156/01
Title:	Beowulf equipment for computational condensed matter physics at UCL
Principal Investigator:	Gillan, Professor M
Other Investigators:	Shluger, Professor A Stoneham, Professor A Stoneham, Professor A Stoneham, Professor AM Fisher, Professor AJ Harding, Professor J
Researcher Co-Investigators:
Project Partners:
Department:	Physics and Astronomy
Organisation:	UCL
Scheme:	Standard Research (Pre-FEC)
Starts:	01 November 2001	Ends:	31 October 2004	Value (£):	223,589
EPSRC Research Topic Classifications:	Condensed Matter Physics Quantum Fluids & Solids Surfaces & Interfaces
EPSRC Industrial Sector Classifications:	Electronics No relevance to Underpinning Sectors
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Summary on Grant Application Form
Beowulf computing equipment is sought for a wide-ranging programme of work to be carried out by members of the Condensed Matter and Materials Physics group (CMMP) at University College London. The proposed equipment will consist of approximately 70 commodity processors coupled with a low-latency high-bandwidth communications network. The scientific projects are grouped under the headings of 'Nanostructures', 'Ab initio thermodynamics and quantum Monte Carlo of condensed matter', and 'Defects and surfaces'. The work on 'Nanostructures' will include calculations to elucidate conduction mechanisms in atomic-scale structures, with particular attention to electron-phonon processes. First-principles and Hartree-Fock calculations will be used to investigate the fundamental mechanisms of scanning tunnelling microscopy (STM) and scanning force microscopy (SFM), one objective being to study the feasibility of using SFM to probe surface magnetism. Semi-empirical and first-principles calculations will also be used to investigate the optical properties of quantum dots. The 'Ab initio thermodynamics and quantum Monte Carlo' part of the project will build on recent developments in ab initio thermodynamics at UCL to investigate the phase diagram of ice, in collaboration with experimental work in CMMP. The new methods will also be developed to study adsorption and desorption rates of molecules at oxide surfaces. The 'Defects and surfaces' research will include work on the modification of materials by electronic excitation and on grain boundaries, film growth and biominerals.
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