Toyoura Kazuaki

トヨウラカズアキ | Toyoura Kazuaki

Affiliation and department：

Research field (2)： Inorganic materials , Metallic materials

Research keywords (4)：イオン伝導 , 原子拡散 , 第一原理計算 , 機械学習

Research theme for competitive and other funds (10)：

2024 - 2028 第一原理計算と機械学習を融合した多元系空間における材料探索技術の構築
2019 - 2024 Computational design of functional core using informatics approaches
2020 - 2023 Materials search for chemical heat storage by combining theoretical computational science and data science
2020 - 2023 Dominant factor analysis of ionic conduction in solids based on the spectral graph theory
2017 - 2021 Methods for selecting and testing hypothesis in big data-driven science and its demonstration in materials, biology, and medicine

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Papers (67)：

Lubing Chen, Guanchao Wang, Kazuaki Toyoura, Donglin Han. High-Temperature Protonic Conduction in La2NiO4+δ-Based Ruddlesden-Popper Type Oxides: Correlation with Concentration of Interstitial Oxide Ions. Small. 2024
Katsuhiro Ueno, Atsunori Hashimoto, Kazuaki Toyoura, Naoyuki Hatada, Shigeo Sato, Tetsuya Uda. Comprehensive understanding of the crystal structure of perovskite-type Ba3Y4O9 with Zr substitution: a theoretical and experimental study. Dalton Transactions. 2024
Kazuaki Toyoura, Tsukasa Takahashi. A kinetic Monte Carlo study for Haven ratio of proton transport in perovskite ceramics. Journal of the Ceramic Society of Japan. 2023. 131. 10. 731-737
Kazuaki Toyoura. Multihill strategy in metadynamics for interstitial diffusion in crystals. Physical Review B. 2023. 108. 13
Kansei Kanayama, Atsuto Seko, Kazuaki Toyoura. Structure search method for atomic clusters based on the dividing rectangles algorithm. Physical Review E. 2023. 108. 3

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MISC (38)：

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Education (3)：

Professional career (1)：

Lithium diffusion in graphite intercalation compounds based on transition state theory (Kyoto University)

Work history (6)：

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Awards (2)：

Association Membership(s) (1)：

日本固体イオニクス学会

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