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CITATION.cff

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cff-version: 1.2.0
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message: "If you use this code or the approach described here, please cite the following:"
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title: "Biochar Atomistic Builder"
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version: "1.0"
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doi: "10.5281/zenodo.12160319"
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url: "https://github.com/BiocharModeling/BiocharAtomisticModels"
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date-released: "2024-06-20"
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authors:
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- family-names: "Sierra-Jimenez"
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given-names: "Valentina"
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roles: [Producer]
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- family-names: "Mathews"
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given-names: "Jonathan"
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roles: [Editor]
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- family-names: "Yoo"
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given-names: "Pilsun"
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roles: [Editor]
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- family-names: "Budai"
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given-names: "Alice"
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roles: [Data collector]
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- family-names: "Chejne"
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given-names: "Farid"
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roles: [Supervisor]
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- family-names: "Dufour"
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given-names: "Anthony"
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roles: [Supervisor]
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- family-names: "Garcia-Perez"
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given-names: "Manuel"
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roles: [Supervisor]
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# any other works you want called out:
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references:
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- type: article
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title: "Biochar data into structure: A methodology for generating large-scale atomistic representations"
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title: "Biochar data into structure: A methodology for generating large-scale atomistic representations"
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authors:
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- family-names: "Sierra-Jimenez"
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given-names: "Valentina"
@@ -53,55 +22,6 @@ references:
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pages: "119391"
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date-published: "2024-06-20"
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- type: article
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title: "Influence of acid-catalyzed dehydration and pressure on woody biomass carbonization: Exploring carbon yield, heteroatom functionalities, and biochar atomistic structure"
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authors:
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- family-names: "Sierra-Jimenez"
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given-names: "Valentina"
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- family-names: "Macias"
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given-names: "Rodrigo J."
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- family-names: "Mathews"
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given-names: "James P."
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- family-names: "Carré"
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given-names: "Valentin"
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- family-names: "Leclerc"
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given-names: "Stéphane"
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- family-names: "Budai"
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given-names: "Alice"
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- family-names: "Chejne"
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given-names: "Farid"
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- family-names: "Castro-Gutiérrez"
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given-names: "José"
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- family-names: "Celzard"
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given-names: "André"
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- family-names: "Fierro"
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given-names: "Víctor"
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- family-names: "Garcia-Perez"
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given-names: "Mario"
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doi: "10.1016/j.carbon.2025.120474"
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journal: "Carbon"
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article-number: "120474"
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date-published: "2025-01-15"
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- type: software
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title: "Biochar Atomistic Builder"
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authors: # repeat the creators (optional—tooling may merge)
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- family-names: "Sierra-Jimenez"
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given-names: "Valentina"
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- family-names: "Mathews"
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given-names: "Jonathan"
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- family-names: "Yoo"
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given-names: "Pilsun"
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- family-names: "Budai"
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given-names: "Alice"
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- family-names: "Chejne"
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given-names: "Farid"
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- family-names: "Dufour"
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given-names: "Anthony"
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- family-names: "Garcia-Perez"
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given-names: "Manuel"
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version: "1.0"
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doi: "10.5281/zenodo.12160319"
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url: "https://zenodo.org/records/12160319"
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date-published: "2024-06-20"
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