56. Jahrestreffen Deutscher Katalytiker

Poster Workshop 4

Data Driven Catalysis

Room: Seminar 4

Chair: Anna Katharina Beine, Max-Planck-Institut für Chemische Energiekonversion

Piloting Data Science Tools within a Local Data Infrastructure for Heterogeneous Catalysis - NFDI4Cat
Mohammad Khatamirad¹; Michael Geske¹; Bianca Wentzel²; Yue Zhang²; Sonja Schimmler²; Frank Rosowski³
¹ BasCat - UniCat BASF Joint Lab, Technische Universität Berlin; ² Fraunhofer FOKUS; ³ BASF SE, Catalysis Research
Automating the Optimization of Catalytic Reaction Mechanism Parameters using Basin-Hopping
Rinu Chacko; Kevin Keller; Steffen Tischer; Akash Bhimrao Shirsath; Patrick Lott; Olaf Deutschmann
Karlsruhe Institute of Technology (KIT)
Voc4Cat: A continuous integration processing pipeline for the development and maintenance of catalysis-related vocabularies
Dr. Nikolaos Moustakas PhD; Jennifer Strunk; David Linke
Leibniz-Institut für Katalyse (LIKAT)
Towards research data management with an electronic lab notebook in catalysis
Katja Kornetzky; Mariam Schulte; Florian Maurer; Nicole Jung; Rinu Chacko; Olaf Deutschmann; Jan-Dierk Grunwaldt
Karlsruhe Institute of Technology (KIT)

Practical Aspects of the NFDI4Cat Ontology and Metadata Design
Dr. Taras Petrenko PhD; Nadiia Huskova PhD
Stuttgart University

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