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IMD – the ITAP molecular dynamics simulation package

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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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