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Details of Grant 

EPSRC Reference: EP/K018396/1
Title: Porous Organic Crystals: From Prediction to Synthesis and Function
Principal Investigator: Cooper, Professor A
Other Investigators:
Hardwick, Professor L
Researcher Co-Investigators:
Project Partners:
Department: Chemistry
Organisation: University of Liverpool
Scheme: Standard Research
Starts: 17 March 2013 Ends: 01 January 2018 Value (£): 488,824
EPSRC Research Topic Classifications:
Materials Characterisation Materials Synthesis & Growth
EPSRC Industrial Sector Classifications:
No relevance to Underpinning Sectors
Related Grants:
EP/K018132/1
Panel History:
Panel DatePanel NameOutcome
05 Dec 2012 EPSRC Physical Sciences Materials - December 2012 Announced
Summary on Grant Application Form
The de novo prediction of molecular crystal structures is an unmet challenge that has central and fundamental importance in areas such as pharmaceuticals, biology, and synthetic functional materials. Building on our recent collaboration (Nature, 2011, 474, 367), we will develop crystal structure prediction methods to underpin the discovery of new functional organic materials. Our focus is 'porous organic cages', a sub-class of porous materials in which the UK has an international lead, and their use in selective molecular separations and in ionic conductivity. The programme involves the close integration of leading groups in the areas of computation, synthesis, and specific property measurements. Hence, a wider outcome will be the development of an integrated 'prediction-to-properties' approach that will have broad impact across many classes of materials, as outlined in the EPSRC Grand Challenge, "Directed Assembly of Extended Structures with Targeted Properties".
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Organisation Website: http://www.liv.ac.uk