K
Kazuya Ishimura
Researcher at Kobe University
Publications - 48
Citations - 1254
Kazuya Ishimura is an academic researcher from Kobe University. The author has contributed to research in topics: Lithium & Massively parallel. The author has an hindex of 20, co-authored 47 publications receiving 1074 citations. Previous affiliations of Kazuya Ishimura include Saitama University & University of Puerto Rico, Río Piedras.
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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,Kyung-Min Lee,Kazuya Ishimura,Taisuke Boku,George F. Bertsch,Katsuyuki Nobusada,Kazuhiro Yabana +17 more
TL;DR: An overview of the capabilities of the SALMON software package is provided, showing several sample calculations of the real-time, real-space calculation of the electron dynamics induced in molecules and solids by an external electric field solving the time-dependent Kohn–Sham equation.
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Dilithioplumbole: A Lead-Bearing Aromatic Cyclopentadienyl Analog
Masaichi Saito,Masafumi Sakaguchi,Tomoyuki Tajima,Kazuya Ishimura,Shigeru Nagase,Masahiko Hada +5 more
TL;DR: Nuclear magnetic resonance spectra and relativistic theoretical calculations show considerable aromatic character in the molecule, thus extending aromaticity to carbon’s heaviest congener, dilithiotetraphenylplumbole by reduction of hexaphenyl plumbole.
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The Aromaticity of the Stannole Dianion
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Accuracy of the three-body fragment molecular orbital method applied to Møller-Plesset perturbation theory.
TL;DR: The three‐body energy expansion in the fragment molecular orbital method (FMO) was applied to the 2nd order Møller–Plesset theory (MP2) and the accuracy of both the two and three‐ body expansions was determined for water clusters, alanine n‐mers and one synthetic protein.
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A new parallel algorithm of MP2 energy calculations.
TL;DR: A new parallel algorithm has been developed for second‐order Møller–Plesset perturbation theory (MP2) energy calculations, its main projected applications are for large molecules, for instance, for the calculation of dispersion interaction.