Pre-Workshop

From Metadata to Simulation: Connecting Data, Semantics and Workflows in Reaction Engineering

An NFDI4Cat Workshop on Metadata, ELN, and Digital Workflows in Reaction Engineering

The NFDI4Cat initiative drives the digital transformation of reaction engineering by connecting metadata, electronic lab notebooks (ELNs), and process simulation through semantic workflows. As part of the Annual Meeting on Reaction Engineering 2026, this interactive workshop invites researchers, engineers, and industry professionals to explore how semantic data management can bridge the gap between experimental data and digital process modeling.

Participants will learn how standardized metadata, ontologies, and interoperable tools can support the creation of transparent, reproducible, and simulation-ready workflows – from experiment planning to model execution. The session will showcase practical examples of how the NFDI4Cat ecosystem enables a seamless data flow across the research lifecycle, empowering users to make their data FAIR and simulation-ready.

By the end of the workshop, participants will gain insights into how to:

• Capture and structure experimental data using ELNs and semantic metadata.
• Link metadata and simulation models through semantic workflows.
• Reuse and share data efficiently across tools and research environments.
• Understand how semantics can enable automated and interoperable process simulation.

Target audience

Researchers, engineers, and industry professionals in reaction engineering and catalysis who want to improve data management practices, connect experimental and simulation data, and leverage semantic workflows for efficient, FAIR, and reproducible research.

Want to learn more?

Explore the NFDI4Cat ecosystem and discover how digital workflows and semantic data management can accelerate your journey from metadata to simulation.