| EPSRC Reference: |
GR/R63196/01 |
| Title: |
A computer facility for Quantum studies of atoms, molecules and bio-molecules |
| Principal Investigator: |
Tennyson, Professor J |
| Other Investigators: |
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| Project Partners: |
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| Department: |
Physics and Astronomy |
| Organisation: |
UCL |
| Scheme: |
JREI |
| Starts: |
24 May 2002 |
Ends: |
23 May 2005 |
Value (£): |
154,655
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| EPSRC Research Topic Classifications: |
| Gas & Solution Phase Reactions |
Scattering & Spectroscopy |
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| EPSRC Industrial Sector Classifications: |
| Creative Industries |
No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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The proposed Beowulf cluster will be used as a multiproject facility on Physics and Chemistry as part of the UCL Hiperspace computing centre. The theme of the programme is leading edge studies into the quantal behaviour of atoms and molecules. The main research areas are: 9a) Ab initio studies of molecular spectra to high accuracy to allow the assignment of congested spectra and the generation of reliable molecular linelists for models of radiative transport in the Earth's atmosphere, cool stars and elsewhere; (b) Ab initio quantum chemical studies of the conformational landscape of small biomolecules in the gas phase and their hydrated clusters with the aim to increase our knowledge of the hydration of these systems and to develop and improve potential models for modelling biochemical processes; (c) Numerical simulations of systems which will provide fundamental information on different aspects of the behaviour of quantum systems at ultra-low temperatures: quantum Monte Carlo wavefunction simulations will contribute to the development of new techniques for quantum-state engineering of atoms in optical lattices, (d) Simulations with the Gross-Pitaevskii equation will enable the properties of the two-dimensional, degenerate Bose gas to be elucidated.
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Key Findings |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Potential use in non-academic contexts |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Impacts |
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| Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
| Summary |
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| Date Materialised |
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Sectors submitted by the Researcher |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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| Project URL: |
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