A new parallel algorithm of MP2 energy calculations. - Kazuya Ishimura; Peter Pulay; Shigeru Nagase (J. Comput. Chem., 2006)

Accuracy of the three-body fragment molecular orbital method applied to Møller-Plesset perturbation theory. - Dmitri G. Fedorov; Kazuya Ishimura; Toyokazu Ishida; Kazuo Kitaura; Peter Pulay; Shigeru Nagase (J. Comput. Chem., 2007)

New parallel algorithm for MP2 energy gradient calculations. - Kazuya Ishimura; Peter Pulay; Shigeru Nagase (J. Comput. Chem., 2007)

Massively-parallel electron dynamics calculations in real-time and real-space: Toward applications to nanostructures of more than ten-nanometers in size. - Masashi Noda; Kazuya Ishimura; Katsuyuki Nobusada; Kazuhiro Yabana; Taisuke Boku (J. Comput. Phys., 2014)

SALMON: Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience. - Masashi Noda; Shunsuke A. Sato; Yuta Hirokawa; Mitsuharu Uemoto; Takashi Takeuchi; Shunsuke Yamada; Atsushi Yamada; Yasushi Shinohara; Maiku Yamaguchi; Kenji Iida; Isabella Floss; Tomohito Otobe; et al. (Comput. Phys. Commun., 2019)

Electronic processes in NO dimerization on Ag and Cu clusters: DFT and MRMP2 studies. - Nozomi Takagi; Masayuki Nakagaki; Kazuya Ishimura; Ryoichi Fukuda; Masahiro Ehara; Shigeyoshi Sakaki (J. Comput. Chem., 2019)

Theoretical analysis of the kinetic isotope effect on carboxylation in RubisCO. - Tianlong Jiang; Kenta Moriwaki; Osamu Kobayashi; Kazuya Ishimura; Sebastian O. Danielache; Shinkoh Nanbu (J. Comput. Chem., 2020)