Theoretical study of correlations between the coordination structures and catalytic activities in polymer-stabilized au nanocluster catalysts. - Yoshinori Ato; Akihide Hayashi; Hiroaki Koga; Kohei Tada; Takashi Kawakami; Shusuke Yamanaka; Mitsutaka Okumura (J. Comput. Chem., 2019)

Generative Model for Constructing Reaction Path from Initial to Final States. - Akihide Hayashi; So Takamoto; Ju Li 003; Daisuke Okanohara (CoRR, 2024)