CCP5

The project began in 1980, when it initially concentrated on the computer simulation of liquids using the Monte Carlo and molecular dynamics methods. Much of the early effort of CCP5 was directed towards exploiting the power of the Cray 1s computer then housed at Daresbury and as a result a very useful program library was developed. In 1983, the scope of CCP5 was extended to include the calculation of lattice properties by energy minimisation methods. This extremely important area of research has many applications in both academic and industrial laboratories. The skills required in these different areas are highly complementary; the search for good model potentials and the application of both techniques to studies of the dynamical properties of crystals are two examples of where a combined approach can be of great benefit... CCP5 covers computer simulation of condensed phase materials at length scales spanning from atomistic to mesoscopic levels. Materials of interest are such as..

Primary location: United Kingdom