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 |