espresso/CITATION.cff at python · espressomd/espresso · GitHub

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cff-version: 1.2.0
message: "If you use this software, please cite it using the metadata from this file."
title: ESPResSo
type: software
version: 5.0.0
license: GPL-3.0-or-later
repository-code: "https://github.com/espressomd/espresso"
identifiers:
  - type: doi
    value: 10.1016/B978-0-12-821978-2.00103-3
    description: The software paper
keywords:
  - soft matter
  - process engineering
  - molecular dynamics
  - computational fluid dynamics
  - lattice-Boltzmann
  - electrostatics
  - magnetostatics
  - electrokinetics
  - Monte Carlo
authors:
  - given-names: Jean-Noël
    family-names: Grad
    affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
    orcid: "https://orcid.org/0000-0002-5821-4912"
  - given-names: Florian
    family-names: Weik
    affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
    orcid: "https://orcid.org/0000-0003-0567-4509"
  - given-names: Alexander
    family-names: Reinauer
    affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
    orcid: "https://orcid.org/0009-0004-5753-0077"
  - given-names: Hideki
    family-names: Kobayashi
    affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
    orcid: "https://orcid.org/0000-0002-4024-1752"
  - given-names: Ingo
    family-names: Tischler
    affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
    orcid: "https://orcid.org/0000-0001-8986-7679"
  - given-names: Pablo M.
    family-names: Blanco
    affiliation: Department of Chemistry, Physics, Environmental and Soil Sciences, University of Lleida – AGROTECNIO-CERCA Center, Lleida, Spain
    orcid: "https://orcid.org/0000-0002-7603-8617"
  - given-names: Deniz
    family-names: Mostarac
    affiliation: School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom
    orcid: "https://orcid.org/0000-0003-4084-6046"
  - given-names: Sebastian
    family-names: Bindgen
    affiliation: Soft Matter, Rheology and Technology, Department of Chemical Engineering, KU Leuven, Leuven, Belgium
    orcid: "https://orcid.org/0000-0002-5861-0990"
  - given-names: David
    family-names: Beyer
    affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
    orcid: "https://orcid.org/0000-0001-6066-8043"
  - given-names: Julian
    family-names: Hoßbach
    affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
    orcid: "https://orcid.org/0009-0009-1458-9374"
  - given-names: Michael
    family-names: Kuron
    affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
    orcid: "https://orcid.org/0000-0002-3231-3330"
  - given-names: Paul
    family-names: Hohenberger
    affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
  - given-names: Niklas
    family-names: Müller
    affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
  - given-names: Riccardo
    family-names: Frenner
    affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
  - given-names: Yashas
    family-names: Gandhi
    affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
    orcid: "https://orcid.org/0000-0002-9220-761X"
  - given-names: Mariano E.
    family-names: Brito
    affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
    orcid: "https://orcid.org/0000-0001-5548-7889"
  - given-names: Samuel
    family-names: Tovey
    affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
    orcid: "https://orcid.org/0000-0001-9537-8361"
  - given-names: Rudolf
    family-names: Weeber
    affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
    orcid: "https://orcid.org/0000-0003-1128-2093"
preferred-citation:
  authors:
    - given-names: Rudolf
      family-names: Weeber
      affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
      orcid: "https://orcid.org/0000-0003-1128-2093"
    - given-names: Jean-Noël
      family-names: Grad
      affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
      orcid: "https://orcid.org/0000-0002-5821-4912"
    - given-names: David
      family-names: Beyer
      affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
      orcid: "https://orcid.org/0000-0001-6066-8043"
    - given-names: Pablo M.
      family-names: Blanco
      affiliation: Institute of Theoretical and Computational Chemistry, University of Barcelona, Barcelona, Spain
      orcid: "https://orcid.org/0000-0002-7603-8617"
    - given-names: Patrick
      family-names: Kreissl
      affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
      orcid: "https://orcid.org/0000-0002-0228-9034"
    - given-names: Alexander
      family-names: Reinauer
      affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
      orcid: "https://orcid.org/0009-0004-5753-0077"
    - given-names: Ingo
      family-names: Tischler
      affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
      orcid: "https://orcid.org/0000-0001-8986-7679"
    - given-names: Peter
      family-names: Košovan
      affiliation: Department of Physical and Macromolecular Chemistry, Charles University, Prague, Czech Republic
      orcid: "https://orcid.org/0000-0002-6708-3344"
    - given-names: Christian
      family-names: Holm
      affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
      orcid: "https://orcid.org/0000-0003-2739-310X"
  editors:
    - given-names: Manuel
      family-names: Yáñez
      affiliation: University of the Basque Country, Spain
    - given-names: Russell J.
      family-names: Boyd
      affiliation: Dalhousie University, Halifax, Canada
  doi: 10.1016/B978-0-12-821978-2.00103-3
  type: article
  title: "ESPResSo, a versatile open-source software package for simulating soft matter systems"
  year: 2024
  volume: 3
  number-volumes: 4
  journal: "Comprehensive Computational Chemistry"
  start: 578
  end: 601
  edition: 1
  isbn: 978-0-12-823256-9
  publisher:
    name: Elsevier
    address: Oxford
references:
  - authors:
      - given-names: Florian
        family-names: Weik
        affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
        orcid: "https://orcid.org/0000-0003-0567-4509"
      - given-names: Rudolf
        family-names: Weeber
        affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
        orcid: "https://orcid.org/0000-0003-1128-2093"
      - family-names: Szuttor
        given-names: Kai
        orcid: "https://orcid.org/0000-0002-8496-0150"
      - given-names: Breitsprecher
        family-names: Konrad
        affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
      - given-names: Joost
        family-names: Graaf
        name-particle: de
        affiliation: Institute for Theoretical Physics, Utrecht University, Utrecht, The Netherlands
        orcid: "https://orcid.org/0000-0002-8781-7368"
      - given-names: Michael
        family-names: Kuron
        affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
        orcid: "https://orcid.org/0000-0002-3231-3330"
      - given-names: Jonas
        family-names: Landsgesell
        affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
        orcid: "https://orcid.org/0000-0002-9315-8522"
      - given-names: Henri
        family-names: Menke
        affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
        orcid: "https://orcid.org/0000-0001-5245-5400"
      - given-names: David
        family-names: Sean
        affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
        orcid: "https://orcid.org/0000-0002-9264-2267"
      - given-names: Christian
        family-names: Holm
        affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
        orcid: "https://orcid.org/0000-0003-2739-310X"
    doi: 10.1140/epjst/e2019-800186-9
    type: article
    journal: "The European Physical Journal Special Topics"
    title: "ESPResSo 4.0 – an extensible software package for simulating soft matter systems"
    year: 2019
    month: 3
    volume: 227
    issue: 14
    issue-title: "Particle Methods in Natural Science and Engineering"
    start: 1789
    end: 1816
    issn: 1951-6401
    publisher:
      name: "EDP Sciences, Springer-Verlag GmbH"
      address: Germany
  - authors:
      - given-names: Rudolf
        family-names: Weeber
        affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
        orcid: "https://orcid.org/0000-0003-1128-2093"
      - given-names: Jean-Noël
        family-names: Grad
        affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
        orcid: "https://orcid.org/0000-0002-5821-4912"
      - given-names: David
        family-names: Beyer
        affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
        orcid: "https://orcid.org/0000-0001-6066-8043"
      - given-names: Pablo M.
        family-names: Blanco
        affiliation: Institute of Theoretical and Computational Chemistry, University of Barcelona, Barcelona, Spain
        orcid: "https://orcid.org/0000-0002-7603-8617"
      - given-names: Patrick
        family-names: Kreissl
        affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
        orcid: "https://orcid.org/0000-0002-0228-9034"
      - given-names: Alexander
        family-names: Reinauer
        affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
        orcid: "https://orcid.org/0009-0004-5753-0077"
      - given-names: Ingo
        family-names: Tischler
        affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
        orcid: "https://orcid.org/0000-0001-8986-7679"
      - given-names: Peter
        family-names: Košovan
        affiliation: Department of Physical and Macromolecular Chemistry, Charles University, Prague, Czech Republic
        orcid: "https://orcid.org/0000-0002-6708-3344"
      - given-names: Christian
        family-names: Holm
        affiliation: Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany
        orcid: "https://orcid.org/0000-0003-2739-310X"
    editors:
      - given-names: Manuel
        family-names: Yáñez
        affiliation: University of the Basque Country, Spain
      - given-names: Russell J.
        family-names: Boyd
        affiliation: Dalhousie University, Halifax, Canada
    doi: 10.1016/B978-0-12-821978-2.00103-3
    type: article
    title: "ESPResSo, a versatile open-source software package for simulating soft matter systems"
    year: 2024
    volume: 3
    number-volumes: 4
    journal: "Comprehensive Computational Chemistry"
    start: 578
    end: 601
    edition: 1
    isbn: 978-0-12-823256-9
    publisher:
      name: Elsevier
      address: Oxford