Neural-network Kohn-Sham exchange-correlation potential and its out-of-training transferability
Nagai, Ryo, Akashi, Ryosuke, Sasaki, Shu, Tsuneyuki, Shinji
Published in The Journal of chemical physics (28.06.2018)
Published in The Journal of chemical physics (28.06.2018)
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Hydrodynamic simulation of laser ablation with electronic entropy effects included
Watanabe, Shuto, Akashi, Ryosuke, Ishikawa, Takahiro, Tanaka, Yuta, Tsuneyuki, Shinji
Published in Journal of applied physics (07.10.2024)
Published in Journal of applied physics (07.10.2024)
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Ferromagnetism above 1000 K in a highly cation-ordered double-perovskite insulator Sr3OsO6
Wakabayashi, Yuki K., Krockenberger, Yoshiharu, Tsujimoto, Naoto, Boykin, Tommy, Tsuneyuki, Shinji, Taniyasu, Yoshitaka, Yamamoto, Hideki
Published in Nature communications (12.02.2019)
Published in Nature communications (12.02.2019)
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Search for common minima in joint optimization of multiple cost functions
Adachi, Daiki, Tsujimoto, Naoto, Akashi, Ryosuke, Todo, Synge, Tsuneyuki, Shinji
Published in Computer physics communications (01.08.2019)
Published in Computer physics communications (01.08.2019)
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Interfacial transmetallation synthesis of a platinadithiolene nanosheet as a potential 2D topological insulator
Pal, Tigmansu, Doi, Shotaro, Maeda, Hiroaki, Wada, Keisuke, Tan, Choon Meng, Fukui, Naoya, Sakamoto, Ryota, Tsuneyuki, Shinji, Sasaki, Sono, Nishihara, Hiroshi
Published in Chemical science (Cambridge) (28.05.2019)
Published in Chemical science (Cambridge) (28.05.2019)
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Repeatable Photoinduced Insulator-to-Metal Transition in Yttrium Oxyhydride Epitaxial Thin Films
Komatsu, Yuya, Shimizu, Ryota, Sato, Ryuhei, Wilde, Markus, Nishio, Kazunori, Katase, Takayoshi, Matsumura, Daiju, Saitoh, Hiroyuki, Miyauchi, Masahiro, Adelman, Jonah R, McFadden, Ryan M. L, Fujimoto, Derek, Ticknor, John O, Stachura, Monika, McKenzie, Iain, Morris, Gerald D, MacFarlane, W. Andrew, Sugiyama, Jun, Fukutani, Katsuyuki, Tsuneyuki, Shinji, Hitosugi, Taro
Published in Chemistry of materials (26.04.2022)
Published in Chemistry of materials (26.04.2022)
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Trimer effects in fragment molecular orbital-linear combination of molecular orbitals calculation of one-electron orbitals for biomolecules
Kobori, Tomoki, Sodeyama, Keitaro, Otsuka, Takao, Tateyama, Yoshitaka, Tsuneyuki, Shinji
Published in The Journal of chemical physics (07.09.2013)
Published in The Journal of chemical physics (07.09.2013)
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Optimization of the Jastrow factor using the random-phase approximation and a similarity-transformed Hamiltonian: application to band-structure calculation for some semiconductors and insulators
Ochi, Masayuki, Sodeyama, Keitaro, Tsuneyuki, Shinji
Published in The Journal of chemical physics (21.02.2014)
Published in The Journal of chemical physics (21.02.2014)
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Normal and inverted redox potentials and structural changes tuned by medium effects in [M2Mo(η5-C5Me5)2(S2C6H4)2(CO)2] (M: Co, Rh)
Muratsugu, Satoshi, Sodeyama, Keitaro, Kitamura, Fusao, Tsukada, Satoru, Tada, Mizuki, Tsuneyuki, Shinji, Nishihara, Hiroshi
Published in Chemical science (Cambridge) (01.01.2011)
Published in Chemical science (Cambridge) (01.01.2011)
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First principles calculation of a high-pressure hydrous phase, δ-AlOOH
Tsuchiya, Jun, Tsuchiya, Taku, Tsuneyuki, Shinji, Yamanaka, Takamitsu
Published in Geophysical research letters (01.10.2002)
Published in Geophysical research letters (01.10.2002)
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