[NC] New concepts in catalysis

[NC-11] ChemOntology: Formalizing Chemical Reasoning for Autonomous Potential Energy Surface Exploration

*Pinku Nath¹, Yuriko Ono², Yu Harabuchi¹, Yasunori Yamamoto¹, Satoshi Maeda^1,2, Tetsuya Taketsugu^1,2, Masaharu Yoshioka^1,3 (1. Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, (Japan), 2. Department of Chemistry, Faculty of Science, Hokkaido University (Japan), 3. Faculty of Information Science and Technology, Hokkaido University (Japan))

Keywords:

Catalysis,Reaction Mechanism,Chemical Ontology,Reaction Path Search,Artificial Intelligence