CITATION.cff

cff-version: 1.2.0
message: This file contains CFF citation information, cf. https://citation-file-format.github.io/, for the ls1 mardyn molecular dynamics code developed by the Boltzmann-Zuse Society for Computational Molecular Engineering.
title: ls1 mardyn
url: http://www.ls1-mardyn.de/
repository-code: https://projects.hlrs.de/projects/ls1/
date-released: 2018-09-05
commit: Revision 6473.
version: Internal development version, situated between release 1.1.1 and prospective future release 1.2
license-url: http://www.ls1-mardyn.de/license.html
abstract: "The molecular dynamics code ls1 mardyn (large systems 1: molecular dynamics), developed by the Boltzmann-Zuse Society for Computational Molecular Engineering, is a scalable massively-parallel molecular modelling and simulation code for classical-mechanical intermolecular pair potential models of low-molecular fluids."
contact:
 - given-names: Philipp
   family-names: Neumann
authors:
 - name: Boltzmann-Zuse Society for Computational Molecular Engineering
   country: DE
preferred-citation:
   type: article
   title: "ls1 mardyn: The massively parallel molecular dynamics code for large systems"
   year: 2014
   authors:
    - given-names: Christoph
      family-names: Niethammer
    - given-names: Stefan
      family-names: Becker
    - given-names: Martin
      family-names: Bernreuther
    - given-names: Martin
      family-names: Buchholz
    - given-names: Wolfgang
      family-names: Eckhardt
    - given-names: Alexander
      family-names: Heinecke
    - given-names: Stephan
      family-names: Werth
    - given-names: Hans-Joachim
      family-names: Bungartz
    - given-names: Colin W.
      family-names: Glass
    - given-names: Hans
      family-names: Hasse
    - given-names: Jadran
      family-names: Vrabec
    - given-names: Martin
      family-names: Horsch
   journal: Journal of Chemical Theory and Computation
   volume: 10
   issue: 10
   pages: 4455-4464
   doi: 10.1021/ct500169q