ISHII Yoshiki

イシイヨシキ | ISHII Yoshiki

Affiliation and department：
Job title： Junior Associate Professor
Homepage URL (1)： https://yoshiki141.org/hp/

Research field (5)： Bio-, chemical, and soft-matter physics , Computational science , Nanostructure chemistry , Mathematical physics and basic theory , Basic physical chemistry

Research theme for competitive and other funds (10)：

2024 - 2027 水/イオン液体のLCST型相転移機構の解明とこの相転移を活用した凝集誘起機能制御
2024 - 2027 イオン液体を輸送するナノ細孔空間とその機能の理論的考察
2024 - 2026 超分子集合体のメゾ階層性を発現する弱い分子間力のモデリングと理論解析
2023 - 2026 Nanostructural Computational Chemistry toward Understanding Molecualr Assembly Functions of Hybrid Soft Materials
2024 - 2025 分子集合系マテリアルが形成する溶液界面の柔らかさと機能の計算科学的探索

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Papers (43)：

Takashi Nakamura, Hayato Takayanagi, Masaki Nakahata, Takumi Okubayashi, Hitomi Baba, Yoshiki Ishii, Go Watanabe, Daisuke Tanabe, Tatsuya Nabeshima. Amide cyclodextrin that recognises monophosphate anions in harmony with water molecules. Chemical Science. 2025
Hiroki Shishido, Noritaka Yusa, Hidetoshi Hashizume, Yoshiki Ishii, Norikazu Ohtori. Numerical prediction of the heat transfer properties of Flinabe molten salt as a coolant in a nuclear system. Annals of Nuclear Energy. 2024. 206. 110631-110631
Yoshiki ISHII, Sataro KIKO, Norikazu OHTORI. Analysis of the Transport Properties of Alkaline-earth Halides MX<sub>2</sub> (M = Ca, Sr, Ba, and X = F, Cl, Br) by Simulation with a Polarizable Ion Model. Electrochemistry. 2024. 92. 4. 043024-043024
Masanori Suzuki, Yusuke Asano, Yoshiki Ishii. Surface ionic coordination of Al₂O₃-CaO-based molten slag induced by structural relaxation. Journal of the American Ceramic Society. 2024
Nozomi Yoneda, Haruka Iyama, Takashi Nagata, Masato Katahira, Yoshiki Ishii, Kohei Tada, Kazuhiko Matsumoto, Rika Hagiwara. Fluoride Ion in Alcohols: Isopropanol vs Hexafluoroisopropanol. The Journal of Physical Chemistry Letters. 2024. 15. 6. 1677-1685

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MISC (14)：

石井良樹, 鳥居肇, 池本夕佳, 鷲津仁志. Spatially-Decomposed Analysis of Molecular Interactions and OH Stretching Vibrational Modes at Polymer-Water Interfaces. 日本化学会春季年会講演予稿集(Web). 2023. 103rd
荻田隼輔, 石井良樹, 鷲津仁志, 金鋼, 松林伸幸. ネマチック-等方相転移の拡張アンサンブルによる高効率サンプリングと自由エネルギー解析. 分子シミュレーション討論会講演要旨集. 2023. 37th
石井良樹. 自己組織化イオン結晶におけるナノ相分離様態と分子輸送特性の分子動力学研究. サイバーメディアHPCジャーナル. 2022. 12. 37-40
石井良樹. 自己組織化イオン液晶が形成するナノ界面のモデリングと水分子のダイナミクス. アンサンブル. 2022. 24. 3. 152-159
石井良樹. 溶液物性のモデリングと不均一分子集合系への展開. 溶液化学研究会誌. 2022. 1. 17-21

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Books (1)：

イオン液体の実用展開に向けた最新動向
シーエムシー出版 2022

Lectures and oral presentations (152)：

Molecular Insights on Ionic Nanochannel and the Hydration Properties of Self-Organized Ionic Liquid Crystals
(Pacifichem 2021)
PMEAと水の相互作用の分子動力学解析:水の状態と局所物性
(第70回高分子討論会 2021)
Molecular Modeling of Ionic Liquids and their Analogues via Self-Consistent Scheme with MD and DFT Methods
(CCP2021)
Structural Properties of Water Molecules around the PEG and alpha-Cyclodextrin onto Gold Surface by MD Simulation
(第70回高分子学会年次大会 2021)
ナノ水圏材料の分子モデリングと局所物性解析
(第23回理論化学討論会 2021)

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Education (4)：

2014 - 2017 Niigata University Graduate School of Science and Technology Doctor Course
2012 - 2014 Niigata University Graduate School of Science and Technology Master Course
2008 - 2012 Niigata University Faculty of Science Department of Chemistry
2005 - 2008 Niitsu Highschool

Professional career (1)：

Ph.D. in Science (Niigata University)

Work history (12)：

2024/04 - 現在 Niigata University Graduate School of Science and Technology Lecturer
2023/04 - 現在 Kitasato University School of Frontier Engineering Junior Associate Professor
2023/04 - 現在 University of Hyogo Graduate School of Information Science Visiting Researcher
2022/10 - 2023/03 Kitasato University Specially-Appointed Lecturer
2022/04 - 2023/03 Niigata University Department of Science, Faculty of Science

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Committee career (5)：

2024/08 - 現在 The Japanese Liquid Crystal Society Delegate
2023/04 - 現在溶液化学若手の会運営委員
2023/07 - 2023/10 第45回溶液化学シンポジウム運営委員
2020/11 - 2022/10 トライボロジー学会校閲委員幹事
2020/06 - 2021/01 HPC Asia 2021 Program Committee

Awards (9)：

2024/09 - 日本液晶学会奨励賞自己組織化イオン液晶がもつ相互作用と機能解析に向けた計算化学の開拓
2024/06 - 花王芸術・科学財団令和6年度花王科学奨励賞分子集合系マテリアルが形成する溶液界面の柔らかさと機能の計算科学的探索
2021/08 - The Japan Association of Solution Chemistry Young Scientist Award (2021)
2021/08 - The Local Organizing Committee at the XXXII IUPAP Conference on Computational Physics Best Poster Award Molecular Modeling of Ionic Liquids and their Analogues via Self-Consistent Scheme with MD and DFT Methods
2020/12 - 兵庫県立大学知の交流シンポジウム2020 優秀ポスター賞分子シミュレーションで観測する機能性イオン液晶膜を透過する水分子のダイナミクス

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Association Membership(s) (10)：

The Japan Liquid Crystal Society , トライボロジー学会 , American Chemical Society , 理論化学会 , THE SOCIETY OF POLYMER SCIENCE , THE SOCIETY OF CHEMICAL ENGINEERS , THE CHEMICAL SOCIETY OF JAPAN , 溶液化学研究会 , THE MOLECULAR SIMULATION SOCIETY OF JAPAN , THE ELECTROCHEMICAL SOCIETY OF JAPAN

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