Yuta Hori

Profile Information

Affiliation: Assistant Professor, Center for Computational Sciences, University of Tsukuba

Degree: 博士（理学）(Mar, 2017, 金沢大学)

Researcher number: 40806915
J-GLOBAL ID: 201701018613453633
researchmap Member ID: B000283387

Research Interests

Research Areas

Nanotechnology/Materials / Basic physical chemistry /

Research History

Apr, 2019 - Present

Assistant Professor, Center for Computational Sciences, University of Tsukuba
Apr, 2018 - Mar, 2019

Institute for Materials Chemistry and Engineering, Kyushu University
Apr, 2017 - Mar, 2018

Institute for Materials Chemistry and Engineering, Kyushu University

Committee Memberships

Jan, 2021 - Dec, 2022

分野別専門委員, 日本生物物理学会

Awards

May, 2022

Best Poster Award 2022, 2nd International Symposium “Hydrogenomics”

Yuta Hori
Dec, 2020

量子生命科学会第二回大会優秀発表賞, 量子生命科学会

堀優太, 石川航平, 庄司光男, 重田育照
Mar, 2017

金沢大学大学院自然科学研究科長賞, 金沢大学

堀優太
Mar, 2012

金沢大学理工学域長賞, 金沢大学

堀優太

Papers

Predicting and analyzing organic reaction pathways by combining machine learning and reaction network approaches

Ida, Tomonori, Kojima, Honoka, Hori, Yuta

CHEMICAL COMMUNICATIONS, 59(83) 12439-12442, Oct, 2023
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, Ryoji Kiyanagi, Koji Munakata, Takashi Ohhara, Atsushi Okazawa, Rintaro Shimada, Akira Sakamoto …

Journal of the American Chemical Society, Aug 25, 2023
1T/1H-SnS₂ Sheets for Electrochemical CO₂ Reduction to Formate

Kawabe, Yusuke, Ito, Yoshikazu, Hori, Yuta, Kukunuri, Suresh, Shiokawa, Fumiya, Nishiuchi, Tomohiko, Jeong, Samuel, Katagiri, Kosuke, Xi, Zeyu, Li, Zhikai …

ACS nano, 17(12) 11318-11326, Jun, 2023 Corresponding author
Determination of the Association between Mesotrione Sensitivity and Conformational Change of 4-Hydroxyphenylpyruvate Dioxygenase via Free-Energy Analyses

Munei, Yohei, Hengphasatporn, Kowi, Hori, Yuta, Harada, Ryuhei, Shigeta, Yasuteru

Journal of agricultural and food chemistry, 71(24) 9528-9537, Jun, 2023
Enantioselective Amino Acid interactions in Solution

Watanabe, Natsuki, Shoji, Mitsuo, Miyagawa, Koichi, Hori, Yuta, Boero, Mauro, Umemura, Masayuki, Shigeta, Yasuteru

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 25(21) 15023-15029, May, 2023 Peer-reviewed
Organocatalytic-racemization reaction elucidation of aspartic acid by density functional theory

Watanabe, Natsuki, Hori, Yuta, Shoji, Mitsuo, Boero, Mauro, Shigeta, Yasuteru

CHIRALITY, 35(9) 645-651, Apr, 2023 Peer-reviewedCorresponding author
Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement

Nakanishi, Takumi, Hori, Yuta, Shigeta, Yasuteru, Sato, Hiroyasu, Wu, Shuqi, Kiyanagi, Ryoji, Munakata, Koji, Ohhara, Takashi, Osamu, Sato

Physical Chemistry Chemical Physics, 25(17) 12394-12400, Apr, 2023 Peer-reviewed
Deprotonation-Induced and Ion-Pairing-Modulated Diradical Properties of Partially Conjugated Pyrrole?Quinone Conjunction

Shinya, Sugiura, Takashi, Kubo, Yohei, Haketa, Yuta, Hori, Yasuteru, Shigeta, Hayato, Sakai, Taku, Hasobe, Hiromitsu, Maeda

Journal of the American Chemical Society, 145(14) 8122-8129, Mar, 2023
Theoretical Characterization of the Electronic and Spin Structures for Iron–Sulfur Cubane in Reduced High-Potential Iron–Sulfur Proteins Using Density Functional Theory

Hori, Yuta, Sato, Ayaka, Yasuteru, Shigeta

Journal of Computer Chemistry, Japan, 21(4) 77-79, Mar, 2023 Peer-reviewedLead authorCorresponding author
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(4) 82-84, Mar, 2023 Peer-reviewed
Theoretical Investigation of Racemization of Amino Acid using Organic Catalysts

渡辺, 七都稀, 堀, 優太, 庄司, 光男, 重田, 育照

Journal of Computer Chemistry, Japan, 21(4) 80-81, Mar, 2023 Peer-reviewed
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, Yuta Hori, Katsuhiro Kusaka, Yu Hirano, Kazuo Kurihara, Yasuteru Shigeta, Taro Tamada …

Chemical Science, 2023
Characterization of the Geometrical and Electronic Structures of the Active Site and Its Effects on the Surrounding Environment in Reduced High-Potential Iron–Sulfur Proteins Investigated by the Density Functional Theory Approach

Sato, Ayaka, Hori, Yuta, Yasuteru, Shigeta

Inorganic Chemistry, 62(5) 2040-2048, Jan, 2023 Peer-reviewedCorresponding author
Comprehensive Search of Stable Isomers of Alanine and Alanine Precursors in Prebiotic Syntheses

Mitsuo, Shoji, Natsuki, Watanabe, Hori, Yuta, Kenji, Furuya, Masayuki, Umemura, Mauro, Boero, Yasuteru, Shigeta

Astrobiology, 22(9) 1129-1142, Sep, 2022 Peer-reviewed
Theoretical Investigation into a Possibility of Formation of Propylene Oxide Homochirality in Space

Hori, Yuta, Nakamura, Honami, Sakawa, Takahide, Natsuki, Watanabe, Kayanuma, Megumi, Mitsuo, Shoji, Masayuki, Umemura, Yasuteru, Shigeta

Astrobiology, 22(11) 1330-1336, Sep, 2022 Peer-reviewedLead authorCorresponding author
Effects of mechanical grinding on the phase behavior and anhydrous proton conductivity of imidazolium hydrogen succinate

Dekura, Shun, Sunairi, Yoshiya, Okamoto, Kei, Takeiri, Fumitaka, Kobayashi, Genki, Hori, Yuta, Shigeta, Yasuteru, Mori, Hatsumi

Solid State Ionics, 372 115775, Dec, 2021 Peer-reviewedCorresponding author
Proton Conduction Mechanism for Anhydrous Imidazolium Hydrogen Succinate Based on Local Structures and Molecular Dynamics

Hori, Yuta, Dekura, Shun, Sunairi, Yoshiya, Ida, Tomonori, Mizuno, Motohiro, Mori, Hatsumi, Shigeta, Yasuteru

The Journal of Physical Chemistry Letters, 12(22) 5390-5394, Jun, 2021 Peer-reviewedLead authorCorresponding author
Proton conduction mechanism in proton-conducting PVPA-xIm composites investigated by theoretical approaches

Hori, Yuta, Suetake, Toshiya, Ida, Tomonori, Mizuno, Motohiro, Shigeta, Yasuteru

The Journal of Computer Chemistry, Japan, 19(4) 131-132, Feb, 2021 Peer-reviewedLead authorCorresponding author
Molecular Motions of Imidazole in Poly(vinylphosphonic acid)-imidazole Composites Investigated by Molecular Dynamics Simulations

Hori, Yuta, Suetake, Toshiya, Shigeta, Yasuteru, Ida, Tomonori, Mizuno, Motohiro

Chemistry Letters, 50(1) 17-20, Oct, 2020 Peer-reviewedLead authorCorresponding author
Three-step Spin State Transition and Hysteretic Proton Transfer in the Crystal of an Iron(II) Hydrazone Complex

Nakanishi, Takumi, Hori, Yuta, Wu, Shuqi, Sato, Hiroyasu, Okazawa, Atsushi, Kojima, Norimichi, Horie, Yusuke, Okajima, Hajime, Sakamoto, Akira, Shiota, Yoshihito …

Angewandte Chemie International Edition, 59(35) 14781-14787, Jun, 2020 Peer-reviewed

Books and Other Publications

Hydrogenomics: The Science of Fully Utilizing Hydrogen

Hori, Yuta, Nishikawa, Koji, Shigeta, Yasuteru, Higuchi, Yoshiki

共立出版, Apr, 2023
Direct Hydroxylation of Methane: Interplay Between Theory and Experiment

Hori, Yuta, Abe, Tsukasa (Role: Contributor, Theoretical Approach to Homogeneous Catalyst of Methane Hydroxylation: Collaboration with Computation and Experiment)

Springer, Oct, 2020 (ISBN: 9789811569869)
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 (Role: Contributor, 計算化学が先導する酵素触媒反応の設計)

Apr, 2020 (ISBN: 9784759813975)

Research Projects

Elucidation of Anhydrous Hydrogen Ion Conduction Process Mechanism by Theoretical Chemistry and Theoretical Proposal for Materials Design

Apr, 2023 - Mar, 2024

Yuta Hori
Quantum Chemical Exploration of the Formation Process of Homochiral Amino Acids in Outer Space

Grants-in-Aid for Scientific Research, Grant-in-Aid for Transformative Research Areas (A), Japan Society for the Promotion of Science, Apr, 2021 - Mar, 2023
Theoretical development of biohydrogenomics based on hydrogen activation and transport

Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area), Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area), Japan Society of for the Promotion of Science, Apr, 2021 - Mar, 2023

Yuta Hori
無水プロトン伝導材料設計に向けた計算化学による機能解析

第36回マツダ研究助成, 公益財団法人マツダ財団, Apr, 2021 - Mar, 2023

堀優太
プロトン移動を伴う機能性材料開発のための電子状態解析

基盤共同研究, 物質・デバイス領域共同研究拠点, Apr, 2021 - Mar, 2022

堀優太
Elucidation of proton conduction mechanism in acid-base complexes investigated by theoretical calculations

Grants-in-Aid for Scientific Research, Grant-in-Aid for Early-Career Scientists, Japan Society for the Promotion of Science, Apr, 2019 - Mar, 2022

Hori Yuta
プロトン移動共役型スピン転移反応の理論的解析

基盤共同研究課題, 物質・デバイス領域共同研究拠点, Apr, 2020 - Mar, 2021

堀優太
理論的解析を軸とした新規プロトン移動型スピン制御材料の開発

融合創発研究, 統合物質創製化学研究推進機構, Apr, 2018 - Mar, 2019

堀優太
Development of theoretical analysis method for proton coupled electron transfer reaction

Grant-in-Aid for Research Activity Start-up, Grant-in-Aid for Research Activity Start-up, Japan Society of for the Promotion of Science, Aug, 2017 - Mar, 2019

Yuta Hori

Misc.

Elucidation of mechanism of anhydrous superprotonic conductivity in 1,2,3-triazolium dihydrogen phosphate single crystal by first-principles calculation

西岡海人, 出倉駿, 出倉駿, 出倉駿, 堀優太, 重田育照, 森初果

分子科学討論会講演プログラム&要旨(Web), 17th, 2023
Crystal structures and anhydrous proton conductivities of imidazolium and 1,2,4-triazolium methanesulfonates

小倉浩樹, 出倉駿, 堀優太, 重田育照, 水野元博, 水野元博, 森初果

日本物理学会講演概要集(CD-ROM), 78(1), 2023
Proton conduction mechanism for anhydrous imidazolium hydrogen succinate investigated by quantum chemical calculation

堀優太, 出倉駿, 井田朋智, 水野元博, 森初果, 重田育照

日本化学会春季年会講演予稿集(Web), 102nd, 2022
Elucidation of superprotonic conduction mechanism by tautomerism in 1,2,3-triazolium dihydrogen phosphate single crystal

西岡海人, 出倉駿, 堀優太, 重田育照, 水野元博, 水野元博, 熊井玲児, 森初果

日本物理学会講演概要集(CD-ROM), 77(1), 2022
Theoretical analysis of proton conduction mechanism for anhydrous imidazolium hydrogen succinate

堀優太, 出倉駿, 井田朋智, 水野元博, 水野元博, 森初果, 重田育照

分子科学討論会講演プログラム&要旨(Web), 15th, 2021
銅2核錯体によるC‐H結合活性化に関する理論的研究

塩田淑仁, 堀優太, 小寺政人, 吉澤一成

日本化学会春季年会講演予稿集(CD-ROM), 98th ROMBUNNO.1E2‐43, Mar 6, 2018

Presentations

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
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
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 Invited
Computational Approach to the Active Site in Metal-Containing Protein for Hydrogen

Hori, Yuta

2023 CCS-EPCC Workshop
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
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 Invited
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)
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)
実験との連携による計算化学の生体・物質系へのアプローチ

堀, 優太

次世代若手研究者による応用計算・理論化学研究会2023
Characterization of the electronic and geometrical structures and the formation pathway in oxidized [NiFe]-hydrogenase

Hori, Yuta, Shigeta, Yasuteru

17th International Congress of Quantum Chemistry
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
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
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
Theoretical Analysis for Anisotropy of Proton Conduction in Imidazolium Hydrogen Succinate by First-Principles Calculations

堀, 優太, 重田, 育照

日本化学会第103春季年会(2023)
Computational Chemical Approaches to the Microscopic Mechanism of Anhydrous Proton Conduction Materials

堀, 優太

Asia Pacific Conference of Theoretical and Computational Chemistry APATCC-10, Feb 19, 2023 Invited
Elucidation of the BioHydrogen Function Mechanism by Computational Chemistry

堀, 優太, 重田, 育照

第32回日本MRS年次大会, Dec 5, 2022 Invited
酸化プロピレンホモキラリティー発生の理論的予測

堀, 優太

第32回日本MRS年次大会, Dec 5, 2022 Invited
Chiral symmetry breaking for amino acid homochirality by dimerization

渡辺, 七都稀, 庄司光男, 堀, 優太, 重田, 育照

Symposium on Next Generation Astrochemistry 2022, Nov 29, 2022
heoretical prediction into a possibility of the formation of propylene oxide homochirality

堀, 優太, 渡辺, 七都稀, 庄司光男, 重田, 育照

Symposium on Next Generation Astrochemistry 2022, Nov 29, 2022
有機分子触媒を用いたアミノ酸ラセミ化反応の理論的研究

渡辺, 七都稀, 庄司, 光男, 堀, 優太, 重田, 育照

日本コンピュータ化学会2022年秋季年会, Nov 25, 2022

Professional Memberships

Mar, 2022 - Present

PROTEIN SCIENCE SOCIETY OF JAPAN
Feb, 2022 - Present

Hydrogenomics alliance
Oct, 2020 - Present

量子生命科学会
Jul, 2020 - Present

THE PHYSICAL SOCIETY OF JAPAN
May, 2020 - Present

THE BIOPHYSICAL SOCIETY OF JAPAN
Jul, 2019 - Present

Japan Society of Theoretical Chemistry
Feb, 2013 - Present

THE CHEMICAL SOCIETY OF JAPAN
Aug, 2012 - Present

Japan Society for Molecular Science

Academic Activities

次世代若手研究者による応用計算・理論化学研究会2023

Planning, management, etc.

堀優太、藤木涼, Jul 25, 2023 - Jul 26, 2023

Social Activities

複雑な生体内の酵素触媒反応を分子レベルで理解する

Contributor

日本生物物理学会, 生物物理のテーマ「C-18：酵素機能」, Mar, 2022 - Present

Media Coverage

二酸化炭素の還元触媒について、構造と電気化学特性の関係をナノスケールで解明～副反応を抑えた二酸化炭素還元のための触媒開発に貢献～

Jun 9, 2023 Internet
[ウェブリリース]タンパク質の構造変化の違いが除草剤の効き目に関与する可能性を提案

Jun 5, 2023 Internet
「荷電π電子系が発現するジラジカル性をイオンペア形成によって制御～電子スピンを利用した電子・光機能材料の開発に期待～」

Apr 3, 2023 Internet
[ウェブリリース]宇宙空間での生命の起源につながるホモキラリティーの可能性を提案〜生命科学と宇宙物理分野による学際連携による発見〜

https://www.ccs.tsukuba.ac.jp/release220907/, Sep 7, 2022 Internet
有機固体電解質中のプロトン伝導メカニズムを解明〜高効率な燃料電池の設計指針に〜

Jun 8, 2021 Internet

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