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2020 – today
- 2021
[j6]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): 136-143 (2021)
2010 – 2019
- 2017
- [j5]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): 489-507 (2017) - 2016
- [j4]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): 2623-2633 (2016) - 2013
- [j3]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): 2568-2575 (2013) - 2011
- [j2]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): 2756-2764 (2011) - 2010
- [j1]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): 2405-2418 (2010)
Coauthor Index
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