Research field (1):
Green/sustainable/environmental chemistry
Research theme for competitive and other funds (5):
2022 - 2025 超精密表面化学反応の開発と炭素ナノ構造体の磁性開拓
2016 - 2018 Temperature and pressure dependent chemical kinetics from ab initio electronic structure calculation and its application to heterogeneous catalysts
2015 - 2018 Development of accurate quantumchemical computation method for condensed-phase therodynamic properies
2014 - 2016 Large scale theoretical method intended for graphene and heterographenes for material science
2009 - 2010 遷移金属錯体の化学反応ダイナミクス:手法の開発と動的挙動の解明
Papers (55):
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
Árni Björn Höskuldsson, Thang Dang, Yasufumi Sakai, Atsushi Ishikawa, Egill Skúlason. High-throughput computational screening of doped transition metal oxides as catalysts for nitrogen reduction. Cell Reports Physical Science. 2023. 4. 10. 101595-101595
Fumiaki Amano, Atsushi Ishikawa, Hiromasa Sato, Chiho Akamoto, Surya Pratap Singh, Seiji Yamazoe, Toshiki Sugimoto. Facilitating Methane Conversion and Hydrogen Evolution on Platinized Gallium Oxide Photocatalyst through Liquid-like Water Nanofilm Formation. Catalysis Today. 2023. 114375-114375
Xiushang Xu, Kewei Sun, Atsushi Ishikawa, Akimitsu Narita, Shigeki Kawai. Magnetism in Nonplanar Zigzag Edge Termini of Graphene Nanoribbons. Angewandte Chemie International Edition. 2023
Hiromasa Sato, Atsushi Ishikawa, Hikaru Saito, Taisuke Higashi, Kotaro Takeyasu, Toshiki Sugimoto. Critical impacts of interfacial water on C-H activation in photocatalytic methane conversion. Communications Chemistry. 2023