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Details of Grant 

EPSRC Reference: GR/S75765/01
Title: Hybrid Meta-heuristic Optimisation of Chiral Catalysts
Principal Investigator: Hirst, Professor J
Other Investigators:
Lygo, Professor B Burke, Professor EK
Researcher Co-Investigators:
Project Partners:
Department: Sch of Chemistry
Organisation: University of Nottingham
Scheme: Standard Research (Pre-FEC)
Starts: 01 April 2004 Ends: 30 September 2007 Value (£): 220,227
EPSRC Research Topic Classifications:
Catalysis & Applied Catalysis Software Engineering
EPSRC Industrial Sector Classifications:
Chemicals Pharmaceuticals and Biotechnology
Related Grants:
Panel History:  
Summary on Grant Application Form
This challenging multi-disciplinary project investigates large-scale meta-heuristic optimisation techniques for optimising catalysts. It is at the interface c Chemistry, Artificial Intelligence and Operational Research and has the overall aim of bringing about a paradigm shift in the way that the search for novel asymmetric catalysts is undertaken. A key aspect is the direct link that will be established between the computational and the experimental components of the research. After an initial period of development, the optimization algorithms will be used to specify new parallel synthesis experiments. These will be run on a daily basis, the experimental data fed back into the algorithm, the new information processed and new experiment formulated and executed. Often computational method development are reliant on post hoc analysis of literature data sets; conversely, there is often e long lag time between the development of new algorithms and their deployment in real chemical applications. Here, our proposed research will be driven by the twin engines of cutting-edge chemistry, focused on the discovery of novel asymmetric catalysts, and cutting-edge computer science, developing state-of-the-art optimization algorithms. Although we have chosen to focus on phase-transfer reaction processes, this study will have implications for all types of asymmetric catalysis.
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Summary
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Further Information:  
Organisation Website: http://www.nottingham.ac.uk