IMD

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IMD (ITAP Molecular Dynamics Program) is a software package for classical molecular dynamics simulations. Several types of interactions are supported, such as central pair potentials, EAM potentials for metals, Stillinger-Weber and Tersoff potentials for covalent systems, and Gay-Berne potentials for liquid crystals. A rich choice of simulation options is available: different integrators for the simulation of the various thermodynamic ensembles, options that allow to shear and deform the sample during the simulation, and many more.

References[edit]

  1. J. Stadler, R. Mikulla, and H.-R. Trebin "IMD: A Software Package for Molecular Dynamics Studies on Parallel Computers", International Journal of Modern Physics C 8 pp. 1131-1140 (1997)