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cff-version: "1.2.0"
authors:
- family-names: Baumeier
given-names: Björn
orcid: "https://orcid.org/0000-0002-6077-0467"
affiliation: Eindhoven University of Technology, Institute for Complex Molecular Systems
- family-names: Wehner
given-names: Jens
orcid: "https://orcid.org/0000-0003-1203-5000"
affiliation: Netherlands eScience Center
- family-names: Renaud
given-names: Nicolas
orcid: "https://orcid.org/0000-0001-9589-2694"
affiliation: Netherlands eScience Center
- family-names: Ruiz
given-names: Felipe Zapata
orcid: "https://orcid.org/0000-0001-8286-677X"
affiliation: Netherlands eScience Center
- family-names: Halver
given-names: Rene
orcid: "https://orcid.org/0000-0002-4895-3762"
affiliation: Forschungszentrum Jülich, Jülich, Germany
- family-names: Madhikar
given-names: Pranav
orcid: "https://orcid.org/0000-0003-3658-3685"
affiliation: Eindhoven University of Technology, Institute for Complex Molecular Systems
- family-names: Gerritsen
given-names: Ruben
orcid: "https://orcid.org/0000-0003-0738-8952"
affiliation: Eindhoven University of Technology, Institute for Complex Molecular Systems
- family-names: Tirimbo
given-names: Gianluca
orcid: "https://orcid.org/0000-0002-6641-0761"
affiliation: Eindhoven University of Technology, Institute for Complex Molecular Systems
- family-names: Sijen
given-names: Javier
affiliation: Eindhoven University of Technology, Institute for Complex Molecular Systems
- family-names: Rosenberger
given-names: David
orcid: "https://orcid.org/0000-0001-6620-6499"
affiliation: Freie Universität Berlin, Berlin, Germany
- family-names: Brown
given-names: Joshua S.
orcid: "https://orcid.org/0000-0003-1227-6429"
affiliation: Oak Ridge National Laboratory
- family-names: Sundaram
given-names: Vivek
orcid: "https://orcid.org/0000-0002-9986-8461"
affiliation: Eindhoven University of Technology, Institute for Complex Molecular Systems
- family-names: Krajniak
given-names: Jakub
orcid: "https://orcid.org/0000-0001-9372-6975"
- family-names: Bernhardt
given-names: Marvin
orcid: "https://orcid.org/0000-0001-6520-5208"
affiliation: Eduard-Zintl-Institut für Anorganische und Physikalische Chemie
- family-names: Junghans
given-names: Christoph
orcid: "https://orcid.org/0000-0003-0925-1458"
affiliation: Los Alamos National Laboratory
contact:
- family-names: Baumeier
given-names: Björn
orcid: "https://orcid.org/0000-0002-6077-0467"
- family-names: Junghans
given-names: Christoph
orcid: "https://orcid.org/0000-0003-0925-1458"
doi: 10.5281/zenodo.12750697
message: If you use this software, please cite our article in the
Journal of Open Source Software.
title: "VOTCA"
version: v2024.1
date-released: 2024-07-16
url: "https://github.com/votca/votca"
abstract: >-
VOTCA: multiscale frameworks for quantum and classical simulations in soft matter"
keywords:
- "quantum chemistry"
- "gw bse"
- "Bethe Salpeter equation"
- "many-body interaction"
- "many-body problem"
- "course graining"
preferred-citation:
authors:
- family-names: Baumeier
given-names: Björn
orcid: "https://orcid.org/0000-0002-6077-0467"
- family-names: Wehner
given-names: Jens
orcid: "https://orcid.org/0000-0003-1203-5000"
- family-names: Renaud
given-names: Nicolas
orcid: "https://orcid.org/0000-0001-9589-2694"
- family-names: Ruiz
given-names: Felipe Zapata
orcid: "https://orcid.org/0000-0001-8286-677X"
affiliation: Netherlands eScience Center
- family-names: Halver
given-names: Rene
orcid: "https://orcid.org/0000-0002-4895-3762"
- family-names: Madhikar
given-names: Pranav
orcid: "https://orcid.org/0000-0003-3658-3685"
- family-names: Gerritsen
given-names: Ruben
orcid: "https://orcid.org/0000-0003-0738-8952"
- family-names: Tirimbo
given-names: Gianluca
orcid: "https://orcid.org/0000-0002-6641-0761"
- family-names: Sijen
given-names: Javier
- family-names: Rosenberger
given-names: David
orcid: "https://orcid.org/0000-0001-6620-6499"
- family-names: Brown
given-names: Joshua S.
orcid: "https://orcid.org/0000-0003-1227-6429"
- family-names: Sundaram
given-names: Vivek
orcid: "https://orcid.org/0000-0002-9986-8461"
- family-names: Krajniak
given-names: Jakub
orcid: "https://orcid.org/0000-0001-9372-6975"
- family-names: Bernhardt
given-names: Marvin
orcid: "https://orcid.org/0000-0001-6520-5208"
- family-names: Junghans
given-names: Christoph
orcid: "https://orcid.org/0000-0003-0925-1458"
date-published: 2024-07-23
doi: 10.21105/joss.06864
issn: 2475-9066
issue: 99
journal: Journal of Open Source Software
publisher:
name: Open Journals
start: 6864
title: "VOTCA: multiscale frameworks for quantum and classical
simulations in soft matter"
type: article
url: "https://joss.theoj.org/papers/10.21105/joss.06864"
volume: 9
title: "VOTCA: multiscale frameworks for quantum and classical
simulations in soft matter"
|
