| EPSRC Reference: |
GR/M90535/01 |
| Title: |
JREI: COMPUTATIONAL CHEMISTRY WITH DENSITY FUNCTIONAL THEORY |
| Principal Investigator: |
Handy, Professor N |
| Other Investigators: |
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| Researcher Co-Investigators: |
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| Project Partners: |
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| Department: |
Chemistry |
| Organisation: |
University of Cambridge |
| Scheme: |
JREI |
| Starts: |
01 July 2000 |
Ends: |
30 June 2003 |
Value (£): |
149,000
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| EPSRC Research Topic Classifications: |
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| EPSRC Industrial Sector Classifications: |
| Chemicals |
No relevance to Underpinning Sectors |
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| Related Grants: |
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| Panel History: |
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Summary on Grant Application Form |
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To provide in-house computing facilities for research on:(a) Density Functionals(b) Statistical Mechanics and simulation of complex fluids and rare events(c) ab initio molecular dynamics simulation of condensed phase chemical reactions(d) Applications of time dependent density functional theory
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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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| Further Information: |
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| Organisation Website: |
http://www.cam.ac.uk |