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This is the NOMAD plugin for heterogeneous catalysis data. It provides schemas, parsers, and a dedicated search app to manage, visualize, and share catalyst and reactivity data following FAIR principles.

📄 Preprint 🔍 Explore in NOMAD Plugin Repository

This plugin was developed as part of the FAIRmat project within the German National Research Data Infrastructure (NFDI).

Getting Started

đź“š Tutorial

Learning-oriented guide

Follow a step-by-step walkthrough using real catalysis data: upload a catalyst sample and a catalytic reaction, then explore the results.

Start the tutorial →

đź“‹ Reference

Information-oriented documentation

Complete schema reference for all entry types, including quantities, subsections, and data file formats.

View reference →

🔬 About NOMAD

Open data platform

NOMAD is an open-source data management platform for materials science, designed to follow FAIR principles. Learn more →

Included Entry Types

This plugin includes the following NOMAD entry types:

  • CatalystSample — Describes a catalyst material, its composition, preparation, and surface properties.
  • CatalyticReaction — Describes a catalytic reaction measurement, including reactor setup, conditions, and results.
  • CatalysisCollectionParserEntry — Enables batch creation of sample and reaction entries from a single Excel/CSV file.

More information can be found in the Reference section.

How to Cite

Citation

If you use this plugin, please cite the accompanying preprint and the software:

Preprint:

Schumann, J., Näsström, H., Götte, M., Himanen, L., Moshantaf, A., Scheidgen, M., Márquez Prieto, J. A., Draxl, C., & Trunschke, A. Towards a new era for open and FAIR data in catalysis research – A catalysis plugin for NOMAD. ChemRxiv, 2026. https://doi.org/10.26434/chemrxiv-2025-kx99k/v2

Software:

Schumann, J., Näsström, H., NOMAD Catalysis Plugin (all versions). https://doi.org/10.5281/zenodo.17534066

BibTeX: 

@article{doi:10.26434/chemrxiv-2025-kx99k/v2,
  author  = {Julia Schumann and Hampus Näsström and Michael Götte and
             Lauri Himanen and Abdulrhman Moshantaf and Markus Scheidgen and
             José A. Márquez Prieto and Claudia Draxl and Annette Trunschke},
  title   = {Towards a new era for open and FAIR data in catalysis research
             – A catalysis plugin for NOMAD},
  journal = {ChemRxiv},
  volume  = {2026},
  number  = {0205},
  year    = {2026},
  doi     = {10.26434/chemrxiv-2025-kx99k/v2},
  url     = {https://chemrxiv.org/doi/abs/10.26434/chemrxiv-2025-kx99k/v2}
}

@software{nomad_catalysis,
  author  = {Schumann, Julia and Näsström, Hampus},
  title   = {NOMAD Catalysis Plugin},
  url     = {https://github.com/FAIRmat-NFDI/nomad-catalysis-plugin},
  doi     = {10.5281/zenodo.17534066}
}

Contact

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