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Details of Grant 

EPSRC Reference: GR/N18567/01
Title: (R) FIRST PRINCIPLES CALCULATIONS ON ENTIRE BIOLOGICAL MOLECULES
Principal Investigator: Payne, Professor MC
Other Investigators:
Researcher Co-Investigators:
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Department: Physics
Organisation: University of Cambridge
Scheme: ROPA
Starts: 30 September 2000 Ends: 29 September 2003 Value (£): 135,197
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Summary on Grant Application Form
We shall apply first principles quantum mechanical calculations to entire biological molecules. In order to do this we shall implement a linear scaling electronic structure code. The code will be written to run on parallel computers using a modular programming technique. We shall use this code to perform calculations on a range of biological methed to demosntrate the potential of first princples calculations in biology
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Organisation Website: http://www.cam.ac.uk