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 including:
| CCP
| Title
| Chair
|
| CCP1 |
The Electronic Structure of Molecules |
Prof Peter Knowles |
| CCP2 |
Continuum States of Atoms and Molecules |
Prof Tania Monteiro |
| CCP3 |
Computational Studies of Surfaces |
Dr Simon Crampin |
| CCP4 |
Protein Crystallography |
Prof Jim Naismith |
| CCP5 |
Computer Simulation of Condensed Phases |
Prof Mark Rodger |
| CCP6 |
Molecular Quantum Dynamic |
Dr Graham Worth |
| CCP9 |
Electronic Structure of Solids |
Prof James Annett |
| CCP12 |
High Performance Computing in Engineering |
Prof Stewart Cant |
| CCP14 |
Powder Diffraction |
Dr Jeremy Cockcroft |
| CCPN |
NMR Spectroscopy |
Prof Ernest Laue |
| CCPB |
Biomolecular Simulation |
Prof Charles Laughton |
| 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
- Organise training in the use of codes (sometimes in the form of annual schools)
- Hold meetings and workshops
- Invite overseas researchers for lecture tours and collaborative visits
- Issue regular newsletters
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.