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Details of Grant 

EPSRC Reference: GR/N11681/01
Title: RENEWAL OF COLLABORATIVE COMPUTATIONAL PROJECT ON HEAVY PARTICLE DYNAMICS (CCP6)
Principal Investigator: Balint-Kurti, Professor G
Other Investigators:
Hutson, Professor JM Tennyson, Professor J Law, Dr M
Researcher Co-Investigators:
Project Partners:
Department: Chemistry
Organisation: University of Aberdeen
Scheme: Standard Research (Pre-FEC)
Starts: 01 November 2000 Ends: 31 October 2003 Value (£): 173,489
EPSRC Research Topic Classifications:
Chemical Structure
EPSRC Industrial Sector Classifications:
Information Technologies No relevance to Underpinning Sectors
Related Grants:
Panel History:  
Summary on Grant Application Form
The Collaborative Computational Project on Heavy Particle Dynamics is comprised of 18 research groups who collaborate to maintain the United Kingdom's high international standing in this essential research area. We apply for funds to permit the continuation of this collaboration and to fund a flagship project. The flagship project will develop a coherent suite of computer programs adapted to the challenging problem of the accurate calculation of rotational-vibrational quantum state energies and wavefunctions of tetraatomic molecules exhibiting wide-amplitude motion. The project will produce well-documented computational codes to enable cutting edge research and apply the codes to scientific problems of great current interest, including the spectroscopy and bonding of the highly excited acetylene/vinylidene and Ar2-HF systems. Our area spans topics in both Chemistry and Physics. A central aspect of our collaboration is that advances are limited by the available computer power. We therefore always use the most powerful computer technology. Our collaboration and our flagship project will be directed at the development of efficient and transportable codes which will find wide and general usage. The computer codes will be distributed through our computer program library.
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Further Information:  
Organisation Website: http://www.abdn.ac.uk