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堀優太

ALUMNI 2026年5月現在、筑波大学が主たる所属機関ではありません

Hori, Yuta

金沢大学 , 融合研究域融合科学系 , 准教授
Kanazawa University , Faculty of Transdisciplinary Sciences for Innovation, Institute of Transdisciplinary Sciences for Innovation , Associate Professor

https://www2.ccs.tsukuba.ac.jp/people/mshoji/index.html

https://www2.ccs.tsukuba.ac.jp/public/hori/

オープンアクセス版の論文は「つくばリポジトリ」で読むことができます。

1. Desorption dynamics of interstellar molecule on amorphous solid water investigated by machine learning potential-based PaCS-MD simulation Natsuki Watanabe; Johannes Kästner; Yuta Hori; Yasuteru Shigeta (+1 著者) Ryuhei Harada
The Journal of Chemical Physics 164: 144310 (2026) Semantic Scholar
2. Proton Tautomerism for Anhydrous Superprotonic Conduction in 1,2,3‐Triazolium Dihydrogen Phosphate Crystal Kaito Nishioka; Shun Dekura; Tomoko Fujino; Motohiro Mizuno (+5 著者) Hatsumi Mori
Angewandte Chemie International Edition 65: e20785 (2026) Semantic Scholar
3. DFT Study of Boric Acid-Promoted Thioester Hydrolysis via a Concerted Bond-Breaking Mechanism Manussada Ratanasak; Yuta Hori; Kohei Sato; Yasuteru Shigeta
The Journal of Physical Chemistry A 129: 11171 (2025) Semantic Scholar
4. Nature of Adsorption of Amino Acids and Precursors on Interstellar Amorphous Solid Water Natsuki Watanabe; Yuta Hori; Kazuki Okazawa; Yasuteru ShigetaMitsuo Shoji
Monthly Notices of the Royal Astronomical Society 544: 3173 (2025) Semantic Scholar
5. CO2 Fixation and Release Mediated by Carbonate-Based Coordination Polymers Kentaro Kadota; Sae Matsui; Ayoub Traverson; Yuta Hori (+5 著者) Satoshi Horike
Journal of the American Chemical Society 147: 30022 (2025) Semantic Scholar
6. Investigating the Photolysis Mechanism of Propylene Oxide Using DFT and TD-DFT Manussada Ratanasak; Yuta Hori; Mitsuo Shoji; Yasuteru Shigeta
ACS Omega 10: 17777 (2025) Semantic Scholar
7. Evaluations of Highly Stable Derivatives of Polycyanated Tricyclic[10]annulene Anions as Efficient Halogen‐Free Electrolyte for Lithium‐ and Sodium‐Ion Batteries Mrinal Kanti Si; Yuta Hori; Yasuteru Shigeta
ChemPhysChem 26: e202401109 (2025) Semantic Scholar
8. Enantioselective interactions of aminonitrile dimers Natsuki Watanabe; Yu Komatsu; Koichi Miyagawa; Yuta Hori (+1 著者) Mitsuo Shoji
Physical Chemistry Chemical Physics 27: 340 (2024) Semantic Scholar
9. A machine learning potential construction based on radial distribution function sampling Natsuki Watanabe; Yuta Hori; Hiroki Sugisawa; Tomonori Ida (+1 著者) Yasuteru Shigeta
Journal of Computational Chemistry 45: 2949 (2024) Semantic Scholar
10. Development of an Fe^II Complex Exhibiting Intermolecular Proton Shifting Coupled Spin Transition Tianchi Ji; Shengqun Su; Shuqi Wu; Yuta Hori (+9 著者) Osamu Sato
Angewandte Chemie International Edition 63: e202404843 (2024) Semantic Scholar
11. Cocrystalline Matrices for Hyperpolarization at Room Temperature Using Photoexcited Electrons Munehiro Inukai; Haruki Sato; Koichiro Miyanishi; Makoto Negoro (+4 著者) Koichi Nakamura
Journal of the American Chemical Society 146: 14539 (2024) Semantic Scholar
12. Network Topology Diversification of Porous Organic Salts Hiroi Sei; Kouki Oka; Yuta Hori; Yasuteru ShigetaNorimitsu Tohnai
Chemical Science 15: 8008 (2024) Semantic Scholar
13. Grinding-Induced Water Solubility Exhibited by Mechanochromic Luminescent Supramolecular Fibers Qiming Liu; Tianyue Zhang; Yuka Ikemoto; Yudai Shinozaki (+5 著者) Yoshimitsu Sagara
Small 20: 2400063 (2024) Semantic Scholar
14. Predicting and analyzing organic reaction pathways by combining machine learning and reaction network approaches Tomonori Ida; Honoka Kojima; Yuta Hori
Chemical Communications 59: 12439 (2023) Semantic Scholar
15. Development of an Iron(II) Complex Exhibiting Thermal- and Photoinduced Double Proton-Transfer-Coupled Spin Transition in a Short Hydrogen Bond Takumi Nakanishi; Yuta Hori; Yasuteru Shigeta; Hiroyasu Sato (+6 著者) Osamu Sato
Journal of the American Chemical Society 145: 19177 (2023) Semantic Scholar
16. New insights into the oxidation process from neutron and X-ray crystal structures of an O₂-sensitive [NiFe]-hydrogenase Takeshi Hiromoto; Koji Nishikawa; Seiya Inoue; Hideaki Ogata (+6 著者) Yoshiki Higuchi
Chemical Science 14: 9306 (2023) Semantic Scholar
17. 1T/1H-SnS₂ Sheets for Electrochemical CO₂ Reduction to Formate Yusuke Kawabe; Yoshikazu Ito; Yuta Hori; Suresh Kukunuri (+7 著者) Yasufumi Takahashi
ACS Nano 17: 11318 (2023) Semantic Scholar
18. Determination of the Association between Mesotrione Sensitivity and Conformational Change of 4-Hydroxyphenylpyruvate Dioxygenase via Free-Energy Analyses Yohei Munei; Kowit Hengphasatporn; Yuta Hori; Ryuhei HaradaYasuteru Shigeta
Journal of agricultural and food chemistry 71: 9528 (2023) Semantic Scholar
19. Enantioselective Amino Acid interactions in Solution Natsuki Watanabe; Mitsuo Shoji; Koichi Miyagawa; Yuta Hori (+2 著者) Yasuteru Shigeta
Physical Chemistry Chemical Physics 25: 15023 (2023) Semantic Scholar
20. Organocatalytic-racemization reaction elucidation of aspartic acid by density functional theory Natsuki Watanabe; Yuta Hori; Mitsuo Shoji; Mauro BoeroYasuteru Shigeta
Chirality 35: 645 (2023) Semantic Scholar

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1. Computational Chemistry Studies on Iron-containing Proteins Toward Understanding Underlying Mechanisms Rikuri Morita; Yuta Hori; Yasuteru Shigeta (担当:共著)
2025年6月13日
2. Hydrogenomics: The Science of Fully Utilizing Hydrogen Hori, Yuta; Nishikawa, Koji; Shigeta, Yasuteru; Higuchi, Yoshiki
共立出版 2023年4月
3. Direct Hydroxylation of Methane: Interplay Between Theory and Experiment Hori, Yuta; Abe, Tsukasa (担当:分担執筆, 範囲:Theoretical Approach to Homogeneous Catalyst of Methane Hydroxylation: Collaboration with Computation and Experiment)
Springer 2020年10月 (ISBN: 9789811569869)
4. 高機能性金属錯体が拓く触媒科学:革新的分子変換反応の創出をめざして堀, 優太; 塩田, 淑仁; 吉澤, 一成 (担当:分担執筆, 範囲:計算化学が先導する酵素触媒反応の設計)
2020年4月 (ISBN: 9784759813975)

81. 第一原理計算を用いたプロトン伝導分子性結晶中のプロトン移動と分子運動の解析堀, 優太; 浩樹, 小倉; 駿, 出倉; 初果, 森; 重田, 育照
日本化学会第104春季年会(2024)
82. Theoretical analysis of the electronic and geometrical structures of the active center of a high-potential iron-sulfur protein and its influence from surrounding amino acids Ayaka Sato; Yuta Hori; Yasuteru Shigeta
The 5th conference of Theory and Applications of Computational Chemistry (TACC2023)
83. 無水プロトン伝導物質の設計に向けた計算化学による伝導機構の理論解析堀優太
マテリアル・計測ハイブリッド研究センター若手フォーラム招待有り
84. Theoretical investigation into the electronic and geometrical structures for the oxidation tolerance of [NiFe]-hydrogenases 堀優太; 佐藤綾香; 重田育照
第61回日本生物物理学会年会
85. SOD1のCYS酸化に伴う構造変化の理論的研究佐藤綾香; 藤木涼; 堀優太; Hengphasatporn Kowi; 重田育照
日本コンピュータ化学会2023年
86. Computational Approach to the Active Site in Metal-Containing Protein for Hydrogen Yuta Hori
2023 CCS-EPCC Workshop
87. Theoretical study for the active site in oxidized [NiFe]-hydrogenase Yuta Hori; Ayaka Sato; Yasuteru Shigeta
The 5th conference of Theory and Applications of Computational Chemistry (TACC2023)
88. 実験との連携による酵素触媒反応の機構解析と理論設計堀優太
化学反応経路探索のニューフロンティア2023 招待有り
89. 星間空間におけるホモキラリティー発生の理論的研究堀優太; 渡辺七都稀; 庄司光男; 重田育照
第17回分子科学討論会
90. Characterization of the electronic and geometrical structures and the formation pathway in oxidized [NiFe]-hydrogenase Yuta Hori; Yasuteru Shigeta
17th International Congress of Quantum Chemistry
91. 高電位鉄硫黄タンパク質の活性中心の電子状態及び構造と周囲のアミノ酸からの影響の理論解析佐藤綾香; 堀優太; 重田育照
量子生命科学会第5回大会
92. 酸化型[NiFe]ヒドロゲナーゼの生成過程と活性中心の構造についての理論解析堀優太; 佐藤綾香; 重田育照
量子生命科学会第5回大会
93. 還元型高電位鉄硫黄タンパク質の鉄硫黄クラスターの電子状態と周囲のアミノ酸が与える影響堀優太; 佐藤綾香; 重田育照
第25回理論化学討論会