Michio Katouda

Publication Activity (10 Years)

Years Active: 2010-2021
Publications (10 Years): 3

Top Topics

Basis Functions

Multicore Processors

Monte Carlo Tree Search

Parallel Algorithm

Top Venues

J. Comput. Chem.

Publications

Motomichi Tashiro, Yutaka Imamura, Michio Katouda
De novo generation of optically active small organic molecules using Monte Carlo tree search combined with recurrent neural network. J. Comput. Chem. 42 (3) (2021)
Michio Katouda, Takahito Nakajima
MPI/OpenMP hybrid parallel algorithm for resolution of identity second-order Møller-Plesset perturbation calculation of analytical energy gradient for massively parallel multicore supercomputers. J. Comput. Chem. 38 (8) (2017)
Michio Katouda, Akira Naruse, Yukihiko Hirano, Takahito Nakajima
Massively parallel algorithm and implementation of RI-MP2 energy calculation for peta-scale many-core supercomputers. J. Comput. Chem. 37 (30) (2016)
Masato Tanaka, Michio Katouda, Shigeru Nagase
Optimization of RI-MP2 Auxiliary Basis Functions for 6-31G** and 6-311G** Basis Sets for First-, Second-, and Third-Row Elements. J. Comput. Chem. 34 (29) (2013)
Michio Katouda, Masato Kobayashi, Hiromi Nakai, Shigeru Nagase
Two-level hierarchical parallelization of second-order Møller-plesset perturbation calculations in divide-and-conquer method. J. Comput. Chem. 32 (13) (2011)
Anuja P. Rahalkar, Michio Katouda, Shridhar R. Gadre, Shigeru Nagase
Molecular tailoring approach in conjunction with MP2 and Ri-MP2 codes: A comparison with fragment molecular orbital method. J. Comput. Chem. 31 (13) (2010)