cff-version: 1.2.0
title: NOMAD Simulations
message: >-
  If you use this software, please cite it using the
  metadata from this file.
type: software
authors:
  - given-names: José M.
    family-names: Pizarro
    orcid: 'https://orcid.org/0000-0002-6751-8192'
  - given-names: Esma B.
    family-names: Boydas
    orcid: 'https://orcid.org/0009-0005-6729-4706'
  - given-names: Nathan
    family-names: Daelman
    orcid: 'https://orcid.org/0000-0002-7647-1816'
  - given-names: Alvin Noe
    family-names: Ladines
    orcid: 'https://orcid.org/0000-0003-0077-2097'
  - given-names: Bernadette
    family-names: Mohr
    orcid: 'https://orcid.org/0000-0003-0903-0073'
  - given-names: Joseph F.
    family-names: Rudzinski
    orcid: 'https://orcid.org/0000-0003-3403-640X'
doi: 10.5281/zenodo.13838811
repository-code: 'https://github.com/fairmat-nfdi/nomad-simulations'
url: 'https://fairmat-nfdi.github.io/nomad-simulations/'
abstract: >-
  `nomad-simulations` is a plugin for the NOMAD software (https://zenodo.org/doi/10.5281/zenodo.8366162)
  providing a common data standard and analysis tools for parsed Materials Science and Quantum Chemistry
  simulations. This standard is used as a template and is populated by the many available NOMAD parsers to transform their
  inputs / outputs into a structured data format. This plugin is community-driven, and users are encourage to
  contribute towards providing Findable, Accessible, Interoperable, and Reusable (FAIR) data.

license: Apache-2.0