Erik Bitzek, Franz Gähler, Jutta Hahn, Christopher Kohler, Galib Krdzalic, Johannes Roth, Christoph Rudhart, Gunther Schaaf, Jörg Stadler, Hans-Rainer Trebin
We describe the recent developments of IMD (ITAP Molecular Dynamics), a general purpose program for classical molecular dynamics simulations on workstations and massively parallel supercomputers. As pair potentials are not entirely suitable for many classes of materials, several further types of interactions with many body forces have been implemented, thereby extending the range of applicability of IMD. IMD now supports, in particular, also EAM (Embedded Atom Method) potentials for the simulation of metals, and Stillinger-Weber and Tersoff potentials for the simulation of covalent systems, such as ceramics and semiconductors.