Flagship Projects
At present CCP6 is developing two flagship research projects.
The purpose of the first flagship project is to development computer codes for calculating and visualising the dynamics of four-atom chemical reactions. The PDRA is Dr. Marko Cvitas, who is working in Cambridge with Dr. Stuart Althorpe.
The second project is dedicated to multi-dimensional time-dependent wavepacket calculations. It is aimed at expanding the capabilities of Heidelberg MCTDH code. The project is being lead by Dr. Graham A. Worth. The target application is a study of H2O scattering off the surface of a protein.
Other codes developed under earlier flagship projects include the time-independent reactive scattering program ABC (now one of the most successful codes in the world at interpreting data from atom-diatom reactive scattering experiments), the inelastic scattering package MOLSCAT, the interactive non-linear fitting package I-NoLLS, and other codes such as BOUND, EDW-VCC-IOS and DVR3D, all of which can be downloaded from our software library.
