Kaoru Hisama, Atsushi Ishikawa, Susan Menez Aspera, Michihisa Koyama. Theoretical Catalyst Screening of Multielement Alloy Catalysts for Ammonia Synthesis Using Machine Learning Potential and Generative Artificial Intelligence. The Journal of Physical Chemistry C. 2024
Tetsuro Morooka, Tamao Shishido, Ruttala Devivaraprasad, Ganesan Elumalai, Makoto Aoki, Tetsuroh Shirasawa, Takuya Nakanishi, Atsushi Ishikawa, Toshihiro Kondo, Takuya Masuda. Potential-Dependent and Face Orientation-Dependent Electrochemical Oxidative Desorption Behavior of Sulfur Species Adsorbed on Platinum Single-Crystal Surfaces. The Journal of Physical Chemistry C. 2024
Donglin Li, Sota Seki, Atsushi Ishikawa, Kenichiro Omoto, Kazuma Yasuhara, Gwénaël Rapenne, Shigeki Kawai. Procrystalline Self-Assembly of Desymmetrized Pentaphenylcyclopentadiene. The Journal of Physical Chemistry Letters. 2024
Atsushi Ishikawa. Machine-learning descriptor search on the density of states profile of bimetallic alloy systems and comparison with the d-band center theory. Journal of Computational Chemistry. 2024