Researcher Information


Specially Appointed Assistant Professor

Transforming chemical data-to-knowledge through implementation of ontology, graph theory, and informatics

Department of Chemistry, Inorganic and Analytical Chemistry


Designing semantics-based chemical and materials data to improve machine accessibility, increase knowledge output, and redesign material classification in order to improve material design.

FieldMaterials Informatics, Catalyst Reactions & Design, Ontology, Natural Language Processing, Computational Chemistry, Data Science, 2D Material Design

Representative Achievements

"Constructing catalyst knowledge networks from catalyst big data in oxidative coupling of methane for designing catalysts", L Takahashi, TN Nguyen, S Nakanowatari, A Fujiwara, T Taniike, K Takahashi, Chemical Science (2021) 12 (38), 12546-12555 (Pick of the Week)(Cover Art)
"Representing the Methane Oxidation Reaction via Linking First-Principles Calculations and Experiment with Graph Theory", L Takahashi, J Ohyama, S Nishimura, K Takahashi, The Journal of Physical Chemistry Letters (2020) 12 (1), 558-568
"Visualizing Scientists’ Cognitive Representation of Materials Data through the Application of Ontology", L Takahashi, K Takahashi, The Journal of Physical Chemistry Letters (2019) 10 (23), 7482-7491 (Invited)
"Redesigning the materials and catalysts database construction process using ontologies", L Takahashi, I Miyazato, K Takahashi, Journal of Chemical Information and Modeling (2018) 58 (9), 1742-1754
"Creating machine learning-driven material recipes based on crystal structure", K Takahashi, L Takahashi, The Journal of Physical Chemistry Letters (2019) 10 (2), 283-288

Related industries

Chemical Industry, Information and Communication Industry, Energy Industry
Academic degreePh.D.
Academic background2008, B.A., Department of Linguistics, The University of Arizona
2011, M.S., Department of Applied IT, Gothenburg University
2018, Research Assistant, Mi2i, National Institute for Materials Science
2019, Research Fellow, Department of Chemistry, Hokkaido University
2020, Ph.D, Department of Chemical System Engineering, The University of Tokyo
2022, Specially-appointed Assistant Professor, Department of Chemistry, Hokkaido University
Affiliated academic societyAmerican Chemical Society