QASC/CITATION.cff at main · stfc/QASC · GitHub

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cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
- family-names: "Meller"
  given-names: "Mateusz"
  orcid: "https://orcid.org/0009-0003-3045-3342"
- family-names: "Thacker"
  given-names: "Joseph C. R."
- family-names: "Szeremi"
  given-names: "Vendel"
- family-names: "Keal"
  given-names: "Thomas W."
  orcid: "https://orcid.org/0000-0001-8747-3975"
title: "QASC"
version: 0.1.1
doi: 10.5281/zenodo.1234
date-released: 2026-09-21
url: "https://github.com/stfc/QASC"
preferred-citation:
  type: article
  authors:
  - family-names: "Thacker"
    given-names: "Joseph C. R."
  - family-names: "Meller"
    given-names: "Mateusz"
    orcid: "https://orcid.org/0009-0003-3045-3342"
  - family-names: "Popescu"
    given-names: "Alberto"
  - family-names: "Patterson"
    given-names: "Andrew"
  - family-names: "Izsák"
    given-names: "Róbert"
  - family-names: "Szeremi"
    given-names: "Vendel"
  - family-names: "Keal"
    given-names: "Thomas W."
    orcid: "https://orcid.org/0000-0001-8747-3975"
  doi: "10.1021/acs.jctc.6c00542"
  journal: "Journal of Chemical Theory and Computation"
  month: 8
  start: 8201 # First page number
  end: 8214 # Last page number
  title: "Hybrid HPC and Quantum Computing Framework for Multiscale Modeling of Chemical Systems"
  issue: 16
  volume: 22
  year: 2026