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Details of Grant 

EPSRC Reference: GR/S47649/01
Title: Novel Machine Learning Approaches to Molecular Coherent Control
Principal Investigator: Whitaker, Professor JBC
Other Investigators:
Researcher Co-Investigators:
Professor R King Mr J Rowland
Project Partners:
Department: Sch of Chemistry
Organisation: University of Leeds
Scheme: Standard Research (Pre-FEC)
Starts: 01 February 2004 Ends: 31 July 2007 Value (£): 442,363
EPSRC Research Topic Classifications:
Artificial Intelligence Gas & Solution Phase Reactions
EPSRC Industrial Sector Classifications:
Aerospace, Defence and Marine Chemicals
Electronics Information Technologies
Related Grants:
GR/S47656/01
Panel History:  
Summary on Grant Application Form
To apply machine learning techniques to develop new, robust and efficient, optimisation algorithms for coherent control and to apply these to quantum control problems. The initial aim is to demonstrate control over chemical processes, such as the branching ratio of a photochemically driven reaction, by means of tailored optical pulses whose profile is learned through an empirically driven feedback loop based on a genetic algorithm. We will then develop a more intelligent adaptive approach in which the search for the optimum pulse shape is also informed by chemical knowledge in addition to the empirical feedback from the controlled reaction. To achieve this we will perform experiments (in the gas phase and in solution) on a statistically significant number of chemically related compounds, and so assess how best to represent chemical knowledge in machine learning applications. The project will also develop technology to specify the temporal modulation of a laser pulse that could be used for a new generation of spectroscopic instrumentation and even to implement a quantum computer, and these possibilities will also be explored.
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Further Information:  
Organisation Website: http://www.leeds.ac.uk