EPSRC logo

Details of Grant 

EPSRC Reference: GR/M90535/01
Title: JREI: COMPUTATIONAL CHEMISTRY WITH DENSITY FUNCTIONAL THEORY
Principal Investigator: Handy, Professor N
Other Investigators:
Amos, Dr R Sprik, Professor M Hansen, Professor JP
Researcher Co-Investigators:
Project Partners:
IBM UK Ltd
Department: Chemistry
Organisation: University of Cambridge
Scheme: JREI
Starts: 01 July 2000 Ends: 30 June 2003 Value (£): 149,000
EPSRC Research Topic Classifications:
Chemical Structure
EPSRC Industrial Sector Classifications:
Chemicals No relevance to Underpinning Sectors
Related Grants:
Panel History:  
Summary on Grant Application Form
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
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.cam.ac.uk