What is CCP6?

CCP6 is the Collaborative Computational Project on Molecular Quantum Dynamics (formerly Heavy Particle Dynamics). It is one of the UK Collaborative Computational Projects, having been funded by the Engineering and Physical Sciences Research Council (EPSRC) since April 1994 and previously by the SERC. 

The CCPs were established in the mid-1970s to provide scientific direction for supercomputing in the UK. They bring together UK researchers in their respective fields, coordinate their activity, and provide efficiently for common software needs. They also provide policy input for high performance computing needs. The CCPs have played a vital role in raising the international profile of UK computational science, and CCP6 has a proud record in this regard.

CCP6 brings together most of the active UK research groups in molecular quantum dynamics. It ensures that optimal use is made of UK investments in national computational facilities. UK research in molecular quantum dynamics is recognised as internationally leading and CCP6 provides elements of support that are crucial to maintaining this position.

CCP6 activities include the development of flagship research projects, and also provision of support for collaboration by (i) organisation of specialist workshops and publication of associated monographs, and (ii) maintenance and distribution of a library of computer codes.

CCP6 is supported by the Computational Science and Engineering Department at Daresbury Laboratory, STFC.

CCP6 is interested in all aspects of Molecular Quantum Dynamics including:

  • atomic collisions, especially nonadiabatic and electron transfer collisions
  • elastic and inelastic molecular scattering
  • bound states of molecules, especially in the presence of wide-amplitude motion
  • non-linear fitting of multi-dimensional potential energy surfaces
  • potential energy surfaces and molecular dynamics
  • molecular reaction dynamics
  • molecular photodissociation dynamics

A wide variety of techniques is used to study these problems, including quantum-mechanical, semiclassical, wavepacket and classical dynamical methods.

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This was page last modified September 15, 2008