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堀優太

ALUMNI 2025年11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. 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)
2. 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)
3. 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)
4. 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
5. 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
6. 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
7. 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
8. Network Topology Diversification of Porous Organic Salts Hiroi Sei; Kouki Oka; Yuta Hori; Yasuteru ShigetaNorimitsu Tohnai
Chemical Science 15: 8008 (2024) Semantic Scholar
9. 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
10. 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
11. 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
12. 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
13. 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
14. 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
15. 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
16. 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
17. Deprotonation-Induced and Ion-Pairing-Modulated Diradical Properties of Partially Conjugated Pyrrole-Quinone Conjunction Shinya Sugiura; Takashi Kubo; Yohei Haketa; Yuta Hori (+3 著者) Hiromitsu Maeda
Journal of the American Chemical Society 145: 8122 (2023) Semantic Scholar
18. Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement Takumi Nakanishi; Yuta Hori; Yasuteru Shigeta; Hiroyasu Sato (+4 著者) Osamu Sato
Physical Chemistry Chemical Physics 25: 12394 (2023) Semantic Scholar
19. Theoretical Characterization of the Electronic and Spin Structures for Iron–Sulfur Cubane in Reduced High-Potential Iron–Sulfur Proteins Using Density Functional Theory Yuta Hori; Ayaka Sato; Yasuteru Shigeta
Journal of Computer Chemistry, Japan 21: 77 (2023) Semantic Scholar
20. 4-hydroxyphenylpyruvate dioxygenase (HPPD)における金属活性中心の力場パラメータの構築とその評価宗井陽平; 堀優太; Kowit Hengphasatporn; 原田,隆平重田, 育照
Journal of Computer Chemistry, Japan 21: 82 (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)

61. 分子クラスターを学習データに用いた機械学習ポテンシャルの凝縮系への適用渡辺, 七都稀; 堀, 優太; 杉澤, 宏樹; 井田, 朋智; 庄司, 光男; 重田, 育照
第47回ケモインフォマティクス討論会
62. 物性予測における効率的な転移学習法の開発藁谷, 広夢; 杉澤, 宏樹; 堀, 優太; 井田, 朋智; 水野, 元博
第47回ケモインフォマティクス討論会
63. 星間分子のプロトン移動における量子効果磯村, 俊也; 杉澤, 宏樹; 堀, 優太; 井田, 朋智; 水野, 元博
第47回ケモインフォマティクス討論会
64. Thioester hydrolysis under mild conditions using 2-mercaptophenylboronic acid Yamamoto, Takaya; Hori, Yuta; Denda, Masaya; Narumi, Tetsuo; Shigeta, Yasuteru; Otaka, Akira; Mase, Nobuyuki; Sato, Kohei
第61回ペプチド討論会
65. 量子化学計算による化学反応解析堀, 優太
グリーン科学技術研究所グリーン分子創造技術コア特別セミナー招待有り
66. 無水プロトン伝導物質中のプロトン伝導機構解明に向けた計算化学アプローチ堀, 優太
三菱ケミカルグループ講演会招待有り
67. 計算化学を用いた酵素触媒反応と物性解析堀, 優太
日本曹達株式会社講演会招待有り
68. 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; 小倉, 浩樹; 出倉, 駿; 森, 初果; 重田, 育照
日本化学会第104春季年会(2024)
69. 機械学習ポテンシャルのための動径分布関数を用いた効率的データサンプリング法渡辺, 七都稀; 堀, 優太; 杉澤, 宏樹; 井田, 朋智; 庄司, 光男; 重田, 育照
第26回理論化学討論会
70. 理論計算による金属タンパク質の構造・電子状態・機能の解析堀, 優太; 佐藤, 綾香; 重田, 育照
凝縮系の理論化学招待有り
71. 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)
72. コンピュータ上でタンパク質や生体分子を操る堀, 優太
2024年度一般公開：スーパーコンピュータ「Cygnus」を見に行こう！筑波大学計算科学研究センター招待有り
73. 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 Sato, Ayaka; Hori, Yuta; Shigeta, Yasuteru
The 5th conference of Theory and Applications of Computational Chemistry (TACC2023)
74. 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
75. 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
76. 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
77. Computational Approach to the Active Site in Metal-Containing Protein for Hydrogen Hori, Yuta
2023 CCS-EPCC Workshop
78. Theoretical study for the active site in oxidized [NiFe]-hydrogenase 堀, 優太; 佐藤, 綾香; 重田, 育照
The 5th conference of Theory and Applications of Computational Chemistry (TACC2023)
79. 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
80. 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