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Details of Grant 

EPSRC Reference: GR/S24114/01
Title: Basic Technology: Control and Prediction of the Organic Solid State
Principal Investigator: Price, Professor SL
Other Investigators:
Harris, Professor KDM Wilson, Professor CC Leslie, Dr M
Florence, Professor AJ Catlow, Professor R Tremayne, Dr M
Tocher, Professor DA David, Professor WIF
Researcher Co-Investigators:
Project Partners:
AstraZeneca UK Limited Avecia Limited Ben-Gurion University(israel)
Cambridge Crystallographic Data Centre GlaxoSmithKline plc (GSK) University of Strathclyde
Department: Chemistry
Organisation: UCL
Scheme: Standard Research (Pre-FEC)
Starts: 01 October 2003 Ends: 31 March 2008 Value (£): 2,438,768
EPSRC Research Topic Classifications:
Chemical Structure Modelling & simul. of IT sys.
Physical Organic Chemistry
EPSRC Industrial Sector Classifications:
Chemicals Pharmaceuticals and Biotechnology
Related Grants:
Panel History:  
Summary on Grant Application Form
Many organic materials can adopt more than one solid state form. This can be exploited in the development of new speciality materials with optimised physical properties such as non-linear optical coefficients, or in the case of pharmaceuticals, it can prove disastrous when the new form appears unexpectedly during the production or storage. This proposal seeks to understand the mysterious phenomenon of polymorphism, by developing a range of experimental and computational technologies to provide a complete atomistic description of the polymorphs of several organic molecules. These include the use of automated crystallisation techniques to find all likely polymorphs, diffraction technology to gain an understanding of the structures and transformations between different polymorphs, nuclear magnetic resonance to detect the structures of the initial nuclei, and computer simulation to predict possible structures and their physical properties. The results of these studies will be used in developing a database of known and hypothetical crystal structures and their properties, covering a wide range of organic molecules and capable of easy extension, so that it provides the basic technology for polymorph prediction and control.
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Project URL: http://www.cposs.org.uk
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