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IMD – the ITAP molecular dynamics simulation package

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Abstract

IMD is a computer simulation package designed for large-scale simulation studies in materials sciences. IMD can be run with a large number of effective many-body interactions which can be produced from ab-initio calculations. This report is intended to give an overview of the following topics: how to obtain IMD, the design of IMD, capabilities of IMD with special focus on laser ablation, and interaction of IMD with other codes.

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Authors and Affiliations

  1. Institute for Functional Matter and Quantum Technologies, University of Stuttgart, Pfaffenwaldring 57, 70550, Stuttgart, Germany

    Johannes Roth, Eugen Eisfeld, Dominic Klein & Hans-Rainer Trebin

  2. Institut für Materialprüfung, Werkstoffkunde und Festigkeitslehre, University of Stuttgart, Pfaffenwaldring 32, 70550, Stuttgart, Germany

    Stephen Hocker & Hansjörg Lipp

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  1. Johannes Roth
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  2. Eugen Eisfeld
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  4. Stephen Hocker
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  5. Hansjörg Lipp
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  6. Hans-Rainer Trebin
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Correspondence to Johannes Roth.

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Roth, J., Eisfeld, E., Klein, D. et al. IMD – the ITAP molecular dynamics simulation package. Eur. Phys. J. Spec. Top. 227, 1831–1836 (2019). https://doi.org/10.1140/epjst/e2019-800147-7

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  • DOI: https://doi.org/10.1140/epjst/e2019-800147-7

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