Collaborative Computational Projects

 
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The Collaborative Computational Projects (CCPs) bring together leading UK expertise in key fields of computational research to tackle large-scale scientific software development, maintenance and distribution projects. Each project represents many years of intellectual and financial investment. The aim is to capitalise on this investment by encouraging widespread and long term use of the software, and by fostering new initiatives such as High End Computing consortia.

The Collaborative Computational Projects cover a range of research areas.

Currently funded CCPs are as follows:

CCP Title Chair Fundng RC
CCP4 Macromolecular Crystallography Prof Martin Noble BBSRC
CCP5 The Computer Simulation of Condensed Phases Prof Stephen Parker EPSRC
CCP9 Computational Electronic Structure of Condensed Matter Prof Mike Payne EPSRC
CCP12 High Performance Computing in Engineering Prof Stewart Cant EPSRC
CCP-ASEArch Algorithms and Software for Emerging Architectures Prof Anne Trefethen EPSRC
CCP-BioSim Biomolecular simulation at the life sciences interface Prof Adrian Mulholland EPSRC
CCP-EM Electron cryo-Microscopy Dr Martyn Winn MRC
CCPi Tomographic Imaging Prof Philip Withers EPSRC
CCPN NMR Prof Ernest Laue BBSRC
CCP-NC NMR Crystallography Dr Jonathan Yates EPSRC
CCPQ Quantum dynamics in Atomic, Molecular and Optical Physics Prof Tania Monteiro EPSRC

Note: CCPQ was formed from CCP2, incorporating aspects of CCP6.

The following CCPs are not currently funded but may still be active and have useful information on their web sites:

CCP Title Chair
CCP1 The Electronic Structure of Molecules Prof Peter Knowles
CCP3 Computational Studies of Surfaces Dr Simon Crampin
CCP6 Molecular Quantum Dynamics Dr Graham Worth
CCP14 Powder Diffraction Dr Jeremy Cockcroft
CCPP Computational Plasma Physics Dr Tony Arber

The CCPs enrich UK computational science and engineering research in various ways. They provide a software infrastructure on which important individual research projects can be built. They support both the R&D and exploitation phases of computational research projects. They ensure the development of software which makes optimum use of the whole range of hardware available to the scientific community, from the desktop to the most powerful national supercomputing facilities. The training activities of CCPs have been outstandingly successful, benefiting several hundred students and post-doctorates each year.

The main activities of the CCPs are to:

  • Carry out flagship code development projects
  • Maintain and distribute code libraries
  • Flagship projects represent innovative software developments at the leading edge of a CCP.s area of science or engineering. They normally last for three years and may support a PDRA associated with the project. At the end of a flagship project, the resulting software usually becomes part of the code library. CCPs maintain, distribute and develop the new code according to demand from member and user research programmes.

    This flagship model suits most CCPs. It provides a mechanism for responding to advances in the appropriate subject area and maintains the interest of participating staff in cutting-edge research. Other CCPs, especially those involved closely with experimental research (CCP4, CCP14, CCPN), focus more on the collation, standardisation, and development of data analysis codes. Here, it is vital to keep pace with rapid developments in instrumentation.

    The collaborative approach makes the community almost uniquely able to adapt and respond to developments in computer science, information technology and hardware. One of the strengths of the scheme is that the focus of each CCP has evolved to maintain international scientific topicality and leadership within its community. The CCPs are increasingly represented in science and engineering as advances in computational techniques and hardware make it feasible to tackle problems of real practical significance.

    Each CCP has a Chair and a Working Group, which sets the scientific agenda, decides the work programme and monitors progress. Currently, more than 300 groups participate in the CCPs, including several outside the UK and in industrial research. There are probably more than 1,000 individual researchers and research students in the UK supported by CCPs. The CCP programmes produce more than 500 papers per year. About 12% of these are in the hot news category (Nature, Science, Physical Review Letters, among others).

    CCPs have a high profile overseas. Many have links with European networks or programmes. The CCP Steering Panel includes international scientists. CCPs also provide opportunities for links with foreign institutions and scientists. CCPs maintain high visibility to industrial researchers by publicising their software, meetings, training and other activities, and by including industrial members on Working Groups and on the Steering Panel. The CCPs are funded competitively through regular Research Council grants. Since 1978, they have also benefited from support by staff at STFC's Daresbury Laboratory, funded via an agreement with the Research Councils. Such staff provide expert technical and administrative support, perform many of the functions outlined above, and are frequently involved in large-scale program development projects.

    The whole programme is overseen by the CCP Steering Panel, under the current chairmanship of Professor P Coveney. The Steering Panel comprises the Chairs of all CCPs and two international members (Professors G Ciccotti and Professor Himeno), together with Dr R J Blake, as Director of STFC's Computational Science and Engineering Department, and the Director of CECAM. The Steering Panel looks actively at areas for co-working between CCPs; joint meetings, workshops and training events are common. All CCPs have a strong interest in e-Science and Grid Computing and we are developing a common approach to this.

 
 
   
 
 
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