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ms2 is a non-commercial software, which was published in Computer Physics Communications.

If you use ms2 for generating scientific results that you want to publish, according to the license agreement for ms2, you need to acknowledge the use of ms2 by citing one of the following papers according to the version of ms2 which was used:

  • version 1.0:
    S. Deublein, B. Eckl, J. Stoll, S. Lishchuk, G. Guevara-Carrion, C. Glass, T. Merker, M. Bernreuther, H. Hasse, J. Vrabec: ms2: A molecular simulation tool for thermodynamic properties, Computer Physics Communication, 182, 11, 2350-2367 (2011) doi:10.1016/j.cpc.2011.04.026.
  • version 2.0:
    C. Glass, S. Reiser, G. Rutkai, S. Deublein, A. Köster, G. Guevara-Carrion, A. Wafai, M. Horsch, M. Bernreuther, T. Windmann, H. Hasse, J. Vrabec: ms2: A molecular simulation tool for thermodynamic properties, new version release, Computer Physics Communication, 185, 12, 3302-3306 (2014) doi:10.1016/j.cpc.2014.07.012.
  • version 3.0:
    G. Rutkai, A. Köster, G. Guevara-Carriona, T. Janzena, M. Schappals, C.W. Glassc, M. Bernreuther, A. Wafai, S. Stephan, M. Kohns, S. Reiser, S. Deublein, M. Horsch, H. Hasse, J. Vrabec: ms2: A molecular simulation tool for thermodynamic properties, release 3.0, Computer Physics Communication, 221, 343-351 (2017) doi.org/10.1016/j.cpc.2017.07.025.
  • version 4.0:
    R. Fingerhut, G. Guevara-Carrion, I. Nitzke, D. Saric, J. Marx, K. Langenbach, S. Prokopev, D. Celný, M. Bernreuther, S. Stephan, M. Kohns, H. Hasse, J. Vrabec. ms2: A molecular simulation tool for thermodynamic properties, release 4.0. Computer Physics Communications, 45, 107860 (2021) doi.org/10.1016/j.cpc.2021.107860.

Preprints of all release papers can be found on ResearchGate (v1.0  v2.0  v3.0  v4.0).

Furthermore, a database of molecular force field models that can readily be used in ms2 was published in Molecular Simulations.

  • S. Stephan, M. Horsch, J. Vrabec, H. Hasse: MolMod - an Open Access Database of Force Fields for Molecular Simulations of Fluids, Molecular Simulation 45, 10, 806-814 (2019) doi.org/10.1080/08927022.2019.1601191.