Towards a new era for open and FAIR data in catalysis research – A catalysis plugin for NOMAD

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Authors: Julia Schumann, Hampus Näsström, M Götte, Lauri Himanen, Abdulrhman Moshantaf, Markus Scheidgen, J.A. Marquez, Claudia Draxl, Annette Trunschke
Cited by: 0

Abstract

The field of catalysis currently lacks a structured repository for experimental data, and the publication of machine-readable datasets remains uncommon. To address this gap and support FAIR (Findable, Accessible, Interoperable, and Reusable) data principles, we introduce a new plugin within the NOMAD platform for managing and publishing heterogeneous catalysis data, the nomad_catalysis plugin. This plugin enables the upload of structured experimental data and metadata with built-in visualization and alignment to the community-developed vocabulary Voc4Cat, ensuring long-term interpretability. In addition to facilitating efficient data sharing, the catalysis app offers intuitive search functionality, enabling researchers to quickly identify relevant catalytic reactions, catalyst materials, reaction conditions and kinetic properties. This infrastructure lays the foundation for advanced data analytics and machine learning applications, supporting more efficient and reproducible catalyst development.

Fields of Study & Subjects

Research Data Management Practices Scientific Computing and Data Management Machine Learning in Materials Science

Publication details

Journal / source
ChemRxiv
Publication date
5 February 2026
Document type
Preprint