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O: Fachverband Oberflächenphysik
O 63: Poster: Data Management
O 63.2: Poster
Wednesday, March 29, 2023, 18:00–20:00, P2/EG
A local solution for automated data acquisition and storage in catalysis — •Abdulrhman Moshantaf1, Mike Wesemann1, Patrick Oppermann1, Heinz Junkes1, Robert Schlögl1,2, and Annette Trunschke1 — 1Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin (Germany) — 2Max Planck Institute for Chemical Energy Conversion, Mühlheim 45470 (Germany)
In order to solve the current challenge in catalysis research in the development of new, scalable catalysts for hydrogen-based future technologies, a better integration of theory and experiment is required. The necessary data exchange demands extensive digitalization in catalysis. Experimental data must be generated reproducibly and with sufficient diversity, and must be available in machine-readable form. Artificial intelligence can then contribute to the discovery of correlations. We have developed a concept for a local data infrastructure and implemented it in a catalysis laboratory. In research projects, handbooks are written (preferably in machine-readable form) detailing how experimental data are obtained, including the definition of benchmark catalysts. To implement the concept of handbooks, automated systems for data acquisition and storage have been designed. Such a system consists of (i) EPICS for communication with devices and data acquisition, (ii) a database (archive), (iii) an archiving appliance for storing time series, (iv) Phoebus for creating graphical user interfaces, (v) Python/Bluesky/Jupyter notebooks for creating automations and evaluations, and (vi) S3 storage for long-term storage.