CITATION.cff

# YAML 1.2
cff-version: 1.3.0
message: "If you use this software, please cite it using these metadata."
authors:
  - affiliation: "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf e.V. (HZDR)"
    family-names: Cangi
    given-names: Attila
    orcid: https://orcid.org/0000-0001-9162-262X
  - affiliation: "Sandia National Laboratories (SNL)"
    family-names: Rajamanickam
    given-names: Sivasankaran
    orcid: https://orcid.org/0000-0002-5854-409X
  - affiliation: "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf e.V. (HZDR)"
    family-names: Brzoza
    given-names: Bartosz
  - affiliation: "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf e.V. (HZDR)"
    family-names: Callow
    given-names: Timothy J.
  - affiliation: "Oak Ridge National Laboratory (ORNL)"
    family-names: Ellis
    given-names: J. Austin
    orcid: https://orcid.org/0000-0002-9901-102X
  - affiliation: "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf e.V. (HZDR)"
    family-names: Faruk
    given-names: Omar
  - affiliation: "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf e.V. (HZDR)"
    family-names: Fiedler
    given-names: Lenz
    orcid: https://orcid.org/0000-0002-8311-0613
  - affiliation: "Sandia National Laboratories (SNL)"
    family-names: Fox
    given-names: James S.
  - affiliation: "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf e.V. (HZDR)"
    family-names: Hoffmann
    given-names: Nils
  - affiliation: "Sandia National Laboratories (SNL)"
    family-names: Miller
    given-names: Kyle D.
  - affiliation: "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf e.V. (HZDR)"
    family-names: Kotik
    given-names: Daniel
    orcid: https://orcid.org/0000-0001-8735-3199
  - affiliation: "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf e.V. (HZDR)"
    family-names: Kulkarni
    given-names: Somashekar
  - affiliation: "Sandia National Laboratories (SNL)"
    family-names: Modine
    given-names: Normand A.
  - affiliation: "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf e.V. (HZDR)"
    family-names: Mohammed
    given-names: Parvez
  - affiliation: "Oak Ridge National Laboratory (ORNL)"
    family-names: Oles
    given-names: Vladyslav
  - affiliation: "Sandia National Laboratories (SNL)"
    family-names: Popoola
    given-names: Gabriel A.
  - affiliation: "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf e.V. (HZDR)"
    family-names: Pöschel
    given-names: Franz
  - affiliation: "Nvidia Corporation"
    family-names: Romero
    given-names: Josh
  - affiliation: "Helmholtz-Zentrum Dresden-Rossendorf e.V. (HZDR)"
    family-names: Schmerler
    given-names: Steve
    orcid: https://orcid.org/0000-0003-1354-0578
  - affiliation: "Sandia National Laboratories (SNL)"
    family-names: Stephens
    given-names: J. Adam
  - affiliation: "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf e.V. (HZDR)"
    family-names: Tahmasbi
    given-names: Hossein
  - affiliation: "Sandia National Laboratories (SNL)"
    family-names: Thompson
    given-names: Aidan P.
    orcid: https://orcid.org/0000-0002-0324-9114
  - affiliation: "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf e.V. (HZDR)"
    family-names: Verma
    given-names: Sneha
  - affiliation: "Sandia National Laboratories (SNL)"
    family-names: Vogel
    given-names: D. Jon


date-released: 2024-12-05
keywords:
  - "machine-learning"
  - "dft"
license: "BSD-3-Clause"
repository-code: "https://github.com/mala-project/mala"
title: MALA
doi: 10.5281/zenodo.5557254 # This DOI represents all versions, and will always resolve to the latest one.
version: 1.3.0