Details of Grant 

EPSRC Reference:	GR/R47769/01
Title:	A Beowulf computer for condensed matter, crystallography, plasma physics and biophysics
Principal Investigator:	Godby, Professor RW
Other Investigators:	Tallents, Professor G Probert, Professor M Main, Dr P Greenall, Dr R Woolsey, Professor N
Researcher Co-Investigators:
Project Partners:
Department:	Physics
Organisation:	University of York
Scheme:	Standard Research (Pre-FEC)
Starts:	01 October 2001	Ends:	30 September 2004	Value (£):	239,377
EPSRC Research Topic Classifications:	Condensed Matter Physics
EPSRC Industrial Sector Classifications:	Electronics Pharmaceuticals and Biotechnology
Related Grants:
Panel History:
Summary on Grant Application Form
The Beowulf computer will comprise 32 computing nodes, and will be used by 6 investigators and their research groups. The system will enable the rapid development of new computer codes to investigate and understand many real-world problems in condensed matter physics, crystallography and plasma physics. It will also provide greatly accelerated turnaround time of calculations, compared to both existing computing facilities in the department, and to the national supercomputer facilities, which will greatly increase the amount of new science that is possible. The results will be of interest and relevance to many others, and will be published in peer-reviewed journals and at international conferences.In condensed matter physics we will be able to develop the GW total energy method, and study the electronic properties of nanostructures. Using CASTEP we will be able to perform ab initio calculations of several hundred atoms, and with SCAMPI we can also include a full quantum treatment of the nucleus where relevant. In crystallography, the development of a parallel eigenvector filtering code will enable the deduction of protein structures from a single X-ray diffraction image. In plasma physics, we will be able to simulate many novel properties of plasmas, including the interaction of short-pulse X-ray lasers and (using the OSIRIS code) the effect of magnetic fields on plasmas, for the first time. In biophysics, the parallel MD package AMBER will enable us to study the interaction of various important proteins and polyamines with DNA in detail.
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Organisation Website:	http://www.york.ac.uk