Johannes Roth
The intention of this article is two-fold: First, we want to describe IMD (ITAP Molecular Dynamics), a software package for classical molecular dynamics simulations on massively-parallel computers. The software is a general purpose package which can be used for any kind of condensed matter, but it contains a number of special features for simulation of the mechanical properties of solids, especially of quasicrystals and silicon interfaces. Second we want to describe a representative application of IMD to the simulation of shock waves in binary icosahedral quasicrystals. These simulation have been carried out to demonstrate the feasibility of metacomputing (clustering of massively-parallel supercomputers over intercontinental distances).