From Code to Figure: A FAIR-Aligned Data Provenance Chain for Reproducible Simulation Research in Numerical Physics

Fuente: arXiv
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Main Authors: Uehlein, Markus, Held, Tobias, Seibel, Christopher, Jonda, Lukas G., Rethfeld, Baerbel, Weber, Sebastian T.
Format: Preprint
Published: 2026
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author Uehlein, Markus
Held, Tobias
Seibel, Christopher
Jonda, Lukas G.
Rethfeld, Baerbel
Weber, Sebastian T.
author_facet Uehlein, Markus
Held, Tobias
Seibel, Christopher
Jonda, Lukas G.
Rethfeld, Baerbel
Weber, Sebastian T.
contents Computational physics increasingly depends on large simulation datasets generated by software that remains under active development for many years. In such settings, reproducibility requires not only well documented data but also explicit links between code versions, simulation inputs, generated outputs, analysis steps, and published figures. Here, we present an integrated workflow for reproducible and FAIR-aligned simulation research in numerical physics. We describe how version control, code review, automated testing, structured logging, metadata-rich output, and standardized post-processing can be combined to support traceability from software development to publication. The presented concepts demonstrated for one particular simulation framework are broadly applicable to computational physics and other data-intensive areas of scientific computing.
format Preprint
id arxiv_https___arxiv_org_abs_2604_25944
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle From Code to Figure: A FAIR-Aligned Data Provenance Chain for Reproducible Simulation Research in Numerical Physics
Uehlein, Markus
Held, Tobias
Seibel, Christopher
Jonda, Lukas G.
Rethfeld, Baerbel
Weber, Sebastian T.
Computational Physics
Materials Science
Computational physics increasingly depends on large simulation datasets generated by software that remains under active development for many years. In such settings, reproducibility requires not only well documented data but also explicit links between code versions, simulation inputs, generated outputs, analysis steps, and published figures. Here, we present an integrated workflow for reproducible and FAIR-aligned simulation research in numerical physics. We describe how version control, code review, automated testing, structured logging, metadata-rich output, and standardized post-processing can be combined to support traceability from software development to publication. The presented concepts demonstrated for one particular simulation framework are broadly applicable to computational physics and other data-intensive areas of scientific computing.
title From Code to Figure: A FAIR-Aligned Data Provenance Chain for Reproducible Simulation Research in Numerical Physics
topic Computational Physics
Materials Science
url https://arxiv.org/abs/2604.25944