Support for the UK Car-Parrinello Consortium

Completed

Not Energy Related
Hydrogen and Fuel Cells(Hydrogen, Hydrogen storage)

Basic and strategic applied research

PHYSICAL SCIENCES AND MATHEMATICS (Physics)

Not Cross-cutting

Dr SJ Clark
Physics
Durham University

Standard

EPSRC

01 May 2008

30 April 2012

48 months

£7,022

Materials sciences

North East

Structural Polymers and Composites -- Physical Sciences

Dr SJ Clark, Physics, Durham University

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

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

14/04/08