Ichigaku Takigawa

Machine Learning for Catalysis Informatics: Recent Applications and Prospects

Takashi Toyao, Zen Maeno, Satoru Takakusagi et al. · ACS Catalysis · 2019 · 564 citations

Chemical Engineering, Engineering, Machine Learning +12

Density Functional Theory Calculations of Oxygen Vacancy Formation and Subsequent Molecular Adsorption on Oxide Surfaces

Yoyo Hinuma, Takashi Toyao, Takashi Kamachi et al. · The Journal of Physical Chemistry C · 2018 · 197 citations · Full text

Engineering, Subsequent Molecular Adsorption, Oxygen Vacancy Formation +21

Toward Effective Utilization of Methane: Machine Learning Prediction of Adsorption Energies on Metal Alloys

Takashi Toyao, Keisuke Suzuki, Shoma Kikuchi et al. · The Journal of Physical Chemistry C · 2018 · 189 citations

Engineering, Machine Learning, Chemical Analysis +23

Machine-learning prediction of the d-band center for metals and bimetals

Ichigaku Takigawa, Ken‐ichi Shimizu, Koji Tsuda et al. · RSC Advances · 2016 · 165 citations

Materials Science, Materials Engineering, Overlayer-covered Metal Surfaces +15

Machine learning reveals orbital interaction in materials

Tien Lam Pham, Hiori Kino, Kiyoyuki Terakura et al. · Science and Technology of Advanced Materials · 2017 · 130 citations · Full text

Materials Science, Engineering, Physics +14