Molecular tailoring approach in conjunction with MP2 and Ri-MP2 codes: A comparison with fragment molecular orbital method. - Anuja P. Rahalkar; Michio Katouda; Shridhar R. Gadre; Shigeru Nagase (J. Comput. Chem., 2010)

Two-level hierarchical parallelization of second-order Møller-plesset perturbation calculations in divide-and-conquer method. - Michio Katouda; Masato Kobayashi; Hiromi Nakai; Shigeru Nagase (J. Comput. Chem., 2011)

Optimization of RI-MP2 Auxiliary Basis Functions for 6-31G** and 6-311G** Basis Sets for First-, Second-, and Third-Row Elements. - Masato Tanaka; Michio Katouda; Shigeru Nagase (J. Comput. Chem., 2013)

Massively parallel algorithm and implementation of RI-MP2 energy calculation for peta-scale many-core supercomputers. - Michio Katouda; Akira Naruse; Yukihiko Hirano; Takahito Nakajima (J. Comput. Chem., 2016)

MPI/OpenMP hybrid parallel algorithm for resolution of identity second-order Møller-Plesset perturbation calculation of analytical energy gradient for massively parallel multicore supercomputers. - Michio Katouda; Takahito Nakajima (J. Comput. Chem., 2017)

De novo generation of optically active small organic molecules using Monte Carlo tree search combined with recurrent neural network. - Motomichi Tashiro; Yutaka Imamura; Michio Katouda (J. Comput. Chem., 2021)