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CITATION.cff
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cff-version: 1.2.0
abstract: "Uncertainty analysis and model comparison for atomistic molecular dynamics."
authors:
- affiliation: "European Spallation Source ERIC"
family-names: McCluskey
given-names: "Andrew R."
orcid: "https://orcid.org/0000-0003-3381-5911"
- affilation: "Department of Chemistry, University College London"
family-names: Squires
given-names: "Alex G."
orcid: "https://orcid.org/0000-0001-6967-3690"
- affiliation: "Department of Chemistry, University of Bath"
family-names: Morgan
given-names: "Benjamin J."
orcid: "https://orcid.org/0000-0002-3056-8233"
date-released: 2022-07-18
license: MIT
message: "If you use this software, please cite it using these metadata."
repository-code: "https://github.com/bjmorgan/kinisi"
title: kinisi
version: "0.7.0"
preferred-citation:
type: article
title: "Accurate Estimation of Diffusion Coefficients and their Uncertainties from Computer Simulation"
authors:
- affiliation: "European Spallation Source ERIC"
family-names: McCluskey
given-names: "Andrew R."
orcid: "https://orcid.org/0000-0003-3381-5911"
- affiliation: "Department of Chemistry, University of Bath"
family-names: Coles
given-names: "Samuel W."
orcid: "https://orcid.org/0000-0001-9722-5676"
- affiliation: "Department of Chemistry, University of Bath"
family-names: Morgan
given-names: "Benjamin J."
orcid: "https://orcid.org/0000-0002-3056-8233"
identifiers:
- type: other
value: "arXiv:/2305.18244"