CITATION.cff

# This CITATION.cff file was generated with cffinit.

cff-version: 1.2.0
title: 'OCDO/asmo: v0.0.1'
message: >-
  Please cite this ontology using the metadata from
  "preferred-citation".
type: software
authors:
  - given-names: Abril
    family-names: Azocar Guzman
    orcid: 'https://orcid.org/0000-0001-7564-7990'
    email: a.azocar.guzman@fz-juelich.de
    affiliation: Forschungszentrum Juelich (FZJ)
identifiers:
  - type: doi
    value: 10.5281/zenodo.10805592
    description: Version 0.0.1 of the ontology in Zenodo
  - type: url
    value: 'https://purls.helmholtz-metadaten.de/mmss/asmo'
    description: Ontology IRI
repository-code: 'https://github.com/OCDO/asmo'
abstract: >-
  Atomistic Simulation Methods Ontology (ASMO) is an ontology that aims to define the concepts needed to describe commonly used atomic scale simulation methods, i.e. density functional theory, molecular dynamics, Monte Carlo methods, etc. ASMO uses the Provenance Ontology (PROV-O) to describe the simulation process.
keywords:
  - ontology
  - computational materials science
  - materials informatics
  - semantics
  - atomistic simulations
  - density functional theory
  - molecular dynamics
  - simulation workflows
license: CC-BY-4.0
commit: efa1edc8b78f3655a5c3c005e38add5b763e4339
version: v0.0.1
date-released: '2024-03-11'
preferred-citation:
  authors:
    - family-names: Azocar Guzman
      given-names: Abril
    - family-names: Menon
      given-names: Sarath
    - family-names: Hofmann
      given-names: Volker
    - family-names: Sandfeld
      given-names: Stefan
  title: "Atomistic Simulation Methods Ontology (ASMO)"
  type: generic
  year: 2024
  url: https://purls.helmholtz-metadaten.de/mmss/asmo