Ontology-based Data Management and Interoperability: Workflow for Catalysis and Process Research Data

The rapidly evolving field of catalysis research generates a vast spectrum of data, necessitating innovative approaches to data management, interoperability, and utilization. This White Paper, “Ontology Mapping and Interoperability: Insights from Catalysis Research Data,” emerges from comprehensive discussions and expert contributions during the dedicated workshop in November 2023 hosted by NFDI4Cat. It encapsulates collective insights aimed at harnessing the power and applicability of ontologies and related tools to navigate the complex landscape of catalysis and catalysis related research data and the method transfer to other domains. Together with scientific, domain-specific vocabulary and standard metadata, knowledge graphs can be generated allowing to handle and store data in a structured and FAIR manner (Findable, Accessible, Interoperable, Reusable). This does not only enable consistent data handling in research data management but also leaves the data in a format ready for data analysis via advanced methods. Exemplary, the data management is shown for literature search, experimental and simulation data entry, analysis, and storage as well as research planning. 

To enhance accessibility for individuals with varying levels of data literacy, the examples provided cater to different skill sets and interests. While the document extensively elucidates the overarching semantic framework, the application instances are tailored towards researchers with a practical orientation. For those seeking an introduction to this evolving landscape of Research Data Management (RDM), platforms like the Lara Suite, ELN FURTHRmind, or local Digital Labs offer valuable insights into data infrastructure and automation solutions. Advanced users can delve deeper into platforms such as LARAsuite or Nomad, while experts can actively integrate specialized applications like ADACTA, NOMAD, or the Cross Domain Meta Ontology into their projects.