Session Details
[ID]Catalysis informatics and data sciences
Thu. Aug 20, 2026 6:30 PM - 8:00 PM JST
Thu. Aug 20, 2026 9:30 AM - 11:00 AM UTC
Thu. Aug 20, 2026 9:30 AM - 11:00 AM UTC
PS4(International Confference Hall)
[ID-01]Deploying an Interactive, Collaborative, and FAIR-oriented Data Processing Pipeline for Data Driven High-Throughput Catalysis Research
*Kourosh Shariat1, Erwin Lam1, Paco Laveille1 (1. SwissCAT+ East (Switzerland))
[ID-02]Structuring multidimensional catalytic data using graph theory and digital transformation of catalyst informatics
*Yoshiki Hasukawa1, Fernando Garcia Escobar1, Keisuke Takahashi1, Lauren Takahashi1 (1. Hokkaido University (Japan))
[ID-03]Designing Catalysts and Materials with the MonteCat algorithm
*Fernando Garcia-Escobar1 (1. Hokkaido University (Japan))
[ID-04]Machine learning-aided identification of heterogeneous catalyst features for improved vapor-phase aldol condensation reaction.
*Simon Verstraeten1, Yayati Naresh Palai1, Ekaterina Makshina1, Bert Sels1 (1. KU Leuven (Belgium))
[ID-05]Construction of literature dataset for reverse-water gas shift and predict new catalysts using machine learning approach
*Umi Shin1, Toshiaki Taira1, Aritomo Yamaguchi1, Shinya Mine1 (1. The National Institute of Advanced Industrial Science and Technology (AIST) (Japan))
[ID-06]Development of Supported Catalysts for Partial Oxidation of Methane via Machine Learning
*Rina Kuroki1, Keisuke Awaya1, Masato Machida1, Keisuke Takahashi2, Junya Ohyama1 (1. Kumamoto University (Japan), 2. Hokkaido University (Japan))
[ID-07]Inverse Design of Oxygen Reduction Reaction Electrocatalysts Using Generative Models and Neural Network Potentials
*Taishiro Wakamiya1, Atsushi Ishikawa1 (1. Science Tokyo (Japan))
[ID-08]Hierarchical Stacking Optimization Using Dirichlet’s Process (SoDip) Towards Accelerated Design for Ammonia synthesis Catalysts
*Amgad Ahmed Ali Ibrahim1, Ryoji Asahi1 (1. Institutes of Innovation for Future Society Institute of Materials Innovation, Nagoya University (Japan))