Papers - TAMURA Tomoyuki
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First-Principles Study on Formation Mechanism of Six-Coordinated Si in Silicophosphate Glass Reviewed
Arata Sakakibara, Tomoyuki Tamura, Kazuya Takada, and Toshihiro Kasuga
The Jouranl of Physical Chemistry B ( 129 ) 447 - 455 2024.12
Authorship：Corresponding author Language：English Publishing type：Research paper (scientific journal)
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First-principles study on the lithiation process of amorphous SiO anode for Li-ion batteries with Bayesian optimization Reviewed
Ryoya Shintaku, Tomoyuki Tamura, Shogo Nogami, Masayuki Karasuyama, Takakazu Hirose
Physical Chemistry Chemical Physics 26 27561 - 27566 2024.10
Authorship：Corresponding author Language：English Publishing type：Research paper (scientific journal)
DOI： 10.1039/d4cp02533d
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Machine-learning-based prediction of first-principles XANES spectra for amorphous materials Reviewed
Haruki Hirai, Takumi Iizawa, Tomoyuki Tamura , Masayuki Karasuyama, Ryo Kobayashi , and Takakazu Hirose
Physical Review Materials 6 115601-1 - 115601-11 2022.11
Authorship：Corresponding author Language：English Publishing type：Research paper (scientific journal)
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Diffusion of protons and sodium ions in silicophosphate glasses: insight based on first-principles molecular dynamic simulations Reviewed International journal
Kazuya Takada, Tomoyuki Tamura, Hirotaka Maeda, Toshihiro Kasuga
Physical Chemistry Chemical Physics 23 14580 - 14586 2021.06
Authorship：Corresponding author Language：English Publishing type：Research paper (scientific journal) Publisher：Royal Society of Chemistry
DOI： 10.1039/d1cp01646f
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Prediction of formation energies of large-scale disordered systems via active-learning based executions of ab initio local-energy calculations: a case study on a Fe random grain boundary model with millions of atoms Reviewed International journal
Tomoyuki Tamura, Masayuki Karasuyama
Physical Review Materials 4 113602-1 - 113602-13 2020.11
Authorship：Lead author Language：English Publishing type：Research paper (scientific journal)
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In Situ Single-phase Formation of LaCl(CN2) Mixed-Anion Compound Via Controlled Pyrolysis of La3+ Modified Melamine Precursor Reviewed International coauthorship
N. Asakuma, M. Iijima, T. Tamura, S. Honda, D Urushihara, T. Asaka, S. Bernard, Y. Iwamoto
Inorganic Chemistry 2024.10
Language：English Publishing type：Research paper (scientific journal)
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Fully carbonate‐electrolyte‐based high‐energy‐densityLi–S batteries with solid‐phase conversion Reviewed
Takashi Hakari, Yuto Kameoka, Kaihei Kishida, Shinji Ozaki, Chihiro Murata, Minako Deguchi, Ryo Harada, Tomoki Fujisawa, Yusuke Mizuno, Heisuke Nishikawa, Tomoyuki Tamura, Yiqun Wang, Hikari Takahara, Takashi Aoki, Tokuo Inamasu, Daisuke Okuda, Masashi Ishikawa
Carbon energy e585-1 - e585-13 2024.06
Language：English Publishing type：Research paper (scientific journal)
DOI： 10.1002/cey2.585
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Downshift of the Ni d band center over Ni nanoparticles in situ confined within an amorphous silicon nitride matrix Reviewed International coauthorship
Dalton Transaction 53 5686 - 5694 2024.03
Language：English Publishing type：Research paper (scientific journal)
DOI： 10.1039/d3dt04155g
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Solubility of 15MgO–15CaO–5P2O5–10SiO2 glass Reviewed
Yuki Oi, Keita Nakamura, Akiko Obata, Tomoyuki Tamura, Toshihiro Kasuga
Journal of the American Ceramic Society 107 166 - 174 2023.08
Authorship：Corresponding author Language：English Publishing type：Research paper (scientific journal)
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Structure and dissolution of silicophosphate glass Reviewed
Kazuya Takada, Tomoyuki Tamura and Toshihiro Kasuga
RSC Advances 12 35043 - 35050 2022.12
Authorship：Corresponding author Language：English Publishing type：Research paper (scientific journal)
DOI： 10.1039/d2ra06707b
Other Link： https://pubs.rsc.org/en/Content/ArticleLanding/2022/RA/D2RA06707B
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Machine learning based prediction of lattice thermal conductivity for half-Heusler compounds using atomic information Reviewed International coauthorship International journal
Hidetoshi Miyazaki, Tomoyuki Tamura, Masashi Mikami, Kosuke Watanabe, Naoki Ide, Osman Murat Ozkendir, Yoichi Nishino
Scientific Reports 11 13410-1 - 13410-8 2021.06
Language：English Publishing type：Research paper (scientific journal) Publisher：Nature Research
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First-principles XANES simulation for oxygen-related defects in Si-O amorphous materials Reviewed International journal
Wataru Katayama, Tomoyuki Tamura, Yuya Nishino, Takakazu Hirose
Computational Materials Science 196 110555-1 - 110555-7 2021.05
Authorship：Lead author Language：English Publishing type：Research paper (scientific journal) Publisher：Elsevier
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Multi-objective Bayesian Optimization using Pareto-frontier Entropy Reviewed International journal
Shinya Suzuki, Shion Takeno, Tomoyuki Tamura, Kazuki Shitara, Masayuki Karasuyama
Proceedings of The 37th International Conference on Machine Learning (ICML 2020) 2020.07
Language：English Publishing type：Research paper (other academic)
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Computational design of stable and highly ion-conductive materials using multi-objective bayesian optimization: Case studies on diffusion of oxygen and lithium Reviewed International journal
Masayuki Karasuyama, Hiroki Kasugai, Tomoyuki Tamura, Kazuki Shitara
Computational Materials Science 184 109927 2020.06
Language：English Publishing type：Research paper (scientific journal) Publisher：Elsevier
Other Link： https://doi.org/10.1016/j.commatsci.2020.109927
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Knowledge-Transfer based Cost-effective Search for Interface Structures: A Case Study on fcc-Al [110] Tilt Grain Boundary Reviewed International journal
Tomohiro Yonezu, Tomoyuki Tamura, Ichiro Takeuchi, Masayuki Karasuyama
Phys Review Materials 2 113802-1 - 113802-9 2018.11
Authorship：Lead author Language：English Publishing type：Research paper (scientific journal) Publisher：The American Physical Society
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Fast and scalable prediction of local energy at grain boundaries: Machine-learning based modeling of first-principles calculations Reviewed International journal
T. Tamura, M. Karasuyama, R. Kobayashi, R. Arakawa, Y. Shiihara, I. Takeuchi
Modelling and Simulation in Materials Science and Engineering 25 075003-1 - 075003-21 2017.08
Authorship：Lead author Language：English Publishing type：Research paper (scientific journal) Publisher：IOP Publishing Ltd
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Combination of first-principles molecular dynamics and XANES simulations for LiCoO2-electrolyte interfacial reactions in a Li-ion battery Reviewed International journal
Tomoyuki Tamura, Masanori Kohyama, Shuji Ogata
Physical Review B 96 035107-1 - 035107-8 2017.07
Authorship：Lead author Language：English Publishing type：Research paper (scientific journal) Publisher：American Physical Society
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Experimental and theoretical investigation of the structural role of titanium oxide in CaO-P2O5-TiO2 invert glass Reviewed International journal
H. Maeda, T. Tamura, T. Kasuga
J. Physical Chemistry B 121 5433 - 5438 2017.05
Authorship：Lead author Language：English Publishing type：Research paper (scientific journal) Publisher：American Chemical Society
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Improving the biocompatibility of tobermorite by incorporating calcium phosphate clusters Reviewed International journal
H. Maeda, T. Tamura, T. Kasuga
Bio-Medical Materials and Engineering 28 31 - 36 2017.03
Language：English Publishing type：Research paper (scientific journal)
DOI： 10.3233/BME-171563
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Development of Neural-Network Interatomic Potentials for Structural Materials Reviewed International journal
R. Kobayashi, T. Tamura, I. Takeuchi, S. Ogata
Solid State Phenomena 258 69 - 72 2016.12
Language：English Publishing type：Research paper (scientific journal)
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