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Molecular Dynamics of Covalent Crystals

In: High Performance Computing in Science and Engineering ’99

Author

Listed:
  • J. Hahn

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

  • H.-R. Trebin

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

Abstract

A molecular mechanics-like two and three body potential is implemented in the ITAP molecular dynamics program IMD 1. First results on the simulation of covalent crystals are presented.

Suggested Citation

  • J. Hahn & H.-R. Trebin, 2000. "Molecular Dynamics of Covalent Crystals," Springer Books, in: Egon Krause & Willi Jäger (ed.), High Performance Computing in Science and Engineering ’99, pages 92-99, Springer.
    • Handle: RePEc:spr:sprchp:978-3-642-59686-5_9
    DOI: 10.1007/978-3-642-59686-5_9
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