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
Hajime Suzuki, Keisuke Takahashi. Theoretical Investigation of Cyanographene and Cyanographite for Potential Sodium Ion Battery. Advanced Engineering Materials. 2024
Toshiaki Taniike, Aya Fujiwara, Sunao Nakanowatari, Fernando García-Escobar, Keisuke Takahashi. Automatic feature engineering for catalyst design using small data without prior knowledge of target catalysis. Communications Chemistry. 2024
Yoshiki Hasukawa, Mikael Kuwahara, Lauren Takahashi, Keisuke Takahashi. Development of graphical user interface for design of experiments via Gaussian process regression and its case study. Science and Technology of Advanced Materials: Methods. 2024
Tomoya Tashiro, Hajime Suzuki, Keisuke Takahashi. High-throughput calculation for screening of Formamidinium Halide Perovskite for Solar Cells. Physical Chemistry Chemical Physics. 2024