Details of Grant 

EPSRC Reference:	GR/T24135/01
Title:	Design of Laser Pulses for the Control of Molecular Transformations and Quantum State Populations
Principal Investigator:	Balint-Kurti, Professor G
Other Investigators:	Manby, Professor FR
Researcher Co-Investigators:
Project Partners:
Department:	Chemistry
Organisation:	University of Bristol
Scheme:	Standard Research (Pre-FEC)
Starts:	13 May 2005	Ends:	12 June 2009	Value (£):	245,407
EPSRC Research Topic Classifications:	Chemical Structure Gas & Solution Phase Reactions
EPSRC Industrial Sector Classifications:	Chemicals
Related Grants:
Panel History:	Panel Date Panel Name Outcome 01 Sep 2004 Chemistry Prioritisation Panel (Science) Deferred
Summary on Grant Application Form
The project will combine new advances in the fields of molecular quantum dynamics, ab initio electronic structure theory and optimal control theory to design laser pulses to bring about specific molecular transformations or reactions. The new aspects of the proposed research are the use of high level ab initio molecular electronic structure theory to compute the energy of the system in the presence of an electric field. This provides a far more accurate representation of the radiation-molecule interaction than has previously been attempted in the literature. Our recent work has confirmed our ability to make new, experimentally verifiable, theoretical predictions in the field of molecular photodissociation. The quantitative predictions arising from the present project will be the first in this field capable of experimental verification and will greatly advance the understanding of the mechanism of molecular excitations and transformations using femtosecond laser pulses. Besides constituting a major advance in the computation of molecule-field interactions the proposed work will take account of the rotation of the molecules in the presence of the radiation field, an essential aspect of the physics never before included in such modelling work. We will design laser pulses to excite specified vibration al-rotational states of the hydrogen molecule, to achieve isotope-selective photodissociation of first-row diatoms; to create chosen quantum states of atoms resulting from photodissociation processes, and to change HCN into HNC.
Key Findings
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
Potential use in non-academic contexts
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
Impacts
Description This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk Summary Date Materialised
Sectors submitted by the Researcher
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
Project URL:
Further Information:
Organisation Website:	http://www.bris.ac.uk