Projects: Projects for Investigator
Reference Number EP/F048084/1
Title Support for the UK Car-Parrinello Consortium
Status Completed
Energy Categories Not Energy Related 99%;
Hydrogen and Fuel Cells(Hydrogen, Hydrogen storage) 1%;
Research Types Basic and strategic applied research 100%
Science and Technology Fields PHYSICAL SCIENCES AND MATHEMATICS (Chemistry) 50%;
PHYSICAL SCIENCES AND MATHEMATICS (Metallurgy and Materials) 50%;
UKERC Cross Cutting Characterisation Not Cross-cutting 100%
Principal Investigator Professor MW Finnis
No email address given
Imperial College London
Award Type Standard
Funding Source EPSRC
Start Date 01 November 2008
End Date 31 October 2012
Duration 48 months
Total Grant Value £23,712
Industrial Sectors No relevance to Underpinning Sectors
Region London
Programme Information & Communication Technology, Physical Sciences
Investigators Principal Investigator Professor MW Finnis , Materials, Imperial College London (99.999%)
  Other Investigator Professor N Harrison , Chemistry, Imperial College London (0.001%)
Web Site
Objectives Note : grants EP/F036809/1, EP/F036884/1, EP/F037163/1, EP/F03718X/1, EP/F03721X/1, EP/F037325/1, EP/F037457/1, EP/F037481/1, EP/F037783/1, EP/F038038/1, EP/F038356/1, EP/F040105/1 and EP/F048084/1 collectively form the UK Car-Parrinello Consortium and are therefore linked
Abstract Many technological advances in modern day life are dependent upon the development of new materials or better control and understanding of existing materials. Understanding the detailed properties of materials has therefore never been more important. The development of high quality computer simulation techniques has played an increasing significant role in this endeavour over recent years. The UKhas been at the forefront of this new wave, and the UKCP consortium has played an important part, in both developing computer codes and algorithms, and exploiting these new advances to increase our understanding of many industrially relevant materials and processes.The research described in this proposal will make significant impacts on many areas of future technology, such as the development ofnew materials for hydrogen storage which will be necessary for zero-pollution cars in the future, the development of new materials for alternative computer memory technologies, and the development of new carbon-based nano-sized electronic components that could replace silicon altogether.Other parts of this proposal seek to develop new algorithms and theoretical improvements that will increase oursimulation abilities, either by increasing the accuracy and reliability of calculations, or by enabling us to simulate bigger systems for longer. These will enable the next generation of simulations and further widen our computational horizons.The research proposed does not easily fit into any of the traditional categories of 'physics' or 'chemistry' etc. Instead, the UKCP is a multi-disciplinary consortium using a common theoretical foundation to advance many different areas of materials-based science
Publications (none)
Final Report (none)
Added to Database 14/04/08