Yoshiki Hasukawa, Fernando Garcia-Escobar, Keisuke Takahashi, Lauren Takahashi. Multidimensional Catalysis Data Representation for Designing Oxidative Coupling of Methane Catalysts. The Journal of Physical Chemistry C. 2024
Yoshiki Hasukawa, Mikael Kuwahara, Fernando Garcia-Escobar, Lauren Takahashi, Toshiaki Taniike, Keisuke Takahashi. Web based graphical user interface for automated materials feature engineering for machine learning. Science and Technology of Advanced Materials: Methods. 2024
Naotoshi Miyasaka, Fernando Gracia-Escobar, Keisuke Takahashi. Automatic Identification of X-ray Absorption Fine Structure Spectra via Machine Learning. The Journal of Physical Chemistry C. 2024
Fernando Garcia-Escobar, Toshiaki Taniike, Keisuke Takahashi. MonteCat: A Basin-Hopping-Inspired Catalyst Descriptor Search Algorithm for Machine Learning Models. Journal of Chemical Information and Modeling. 2024