Yu Harabuchi

ハラブチユウ | Yu Harabuchi

Affiliation and department：
Job title： Specially Appointed Associate Professor
Homepage URL (1)： http://wwwchem.sci.hokudai.ac.jp/~theochem/member_harabuchiyu.html

Research field (2)： Software , Basic physical chemistry

Research theme for competitive and other funds (7)：

2023 - 2027 量子化学計算に基づく光電子移動と水素原子移動を含む反応サイクル全貌解明と触媒設計
2023 - 2026 Creation of gigantic chemical space science: Establishment of scientific principles for finding useful compounds from hundreds of millions of unknown compounds
2023 - 2026 量子化学計算と無輻射失活経路探索が操舵する巨大化学空間探索
2022 - 2025 円錐交差構造と機械学習を用いた無輻射失活経路予測に基づく蛍光分子骨格の理論設計
2016 - 2020 円錐交差データベースに基づく蛍光分子自動設計法の開発

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Papers (83)：

Wataru Matsuoka, Taihei Oki, Ren Yamada, Tomohiko Yokoyama, Shinichi Suda, Carla M. Saunders, Bastian Bjerkem Skjelstad, Yu Harabuchi, Natalie Fey, Satoru Iwata, et al. Virtual Ligand-Assisted Optimization: A Rational Strategy for Ligand Engineering. ACS Catalysis. 2024. 16297-16312
Soichiro Nakatsuka, Seiji Akiyama, Yu Harabuchi, Satoshi Maeda, Yuuya Nagata. Tetraborylation of p-Benzynes Generated by the Masamune-Bergman Cyclization through Reaction Design Based on the Reaction Path Network. JACS Au. 2024
Yu Harabuchi, Tomohiko Yokoyama, Wataru Matsuoka, Taihei Oki, Satoru Iwata, Satoshi Maeda. Differentiating the Yield of Chemical Reactions Using Parameters in First-Order Kinetic Equations to Identify Elementary Steps That Control the Reactivity from Complicated Reaction Path Networks. The journal of physical chemistry. A. 2024
Saeesh R. Mangaonkar, Hiroki Hayashi, Wataru Kanna, Suvankar Debbarma, Yu Harabuchi, Satoshi Maeda, Tsuyoshi Mita. γ-Butyrolactone Synthesis from Allylic Alcohols Using the CO2 Radical Anion. Precision Chemistry. 2024
Shotaro Nagami, Rintaro Kaguchi, Taichi Akahane, Yu Harabuchi, Tohru Taniguchi, Kenji Monde, Satoshi Maeda, Satoshi Ichikawa, Akira Katsuyama. Photoinduced dual bond rotation of a nitrogen-containing system realized by chalcogen substitution. Nature Chemistry. 2024

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MISC (5)：

Satoshi Maeda, Yu Harabuchi, Taisuke Hasegawa, Kimichi Suzuki, Tsuyoshi Mita. Reactivity prediction through quantum chemical calculations. AsiaChem Magazine. 2021. 2. 1. 56-63
Satoshi Maeda, Yu Harabuchi, Kenichiro Saita. Development of Automated Reaction Path Search Method toward Systematic Theoretical Analysis of Catalytic Reactions. Catalysts & Catalysis. 2017. 59. 4. 201-206
武次徹也, 原渕祐, 小野ゆり子, 前田理. 分子の分かれ道 - 反応経路が分岐したとき分子はどちらの道を選ぶのか?. 化学. 2016. 71. 7. 70-71
関川太郎, 飯窪亮, 原渕祐, 佐藤壮太, 武次徹也, 萱沼洋輔. 単一次数高調波光源による気相分子の時間分解光電子分光. レーザー研究, レーザー学会誌. 2015. 43. 833-837
R. Iikubo, T. Fujiwara, T. Sekikawa, Y. Harabuchi, T. Taketsugu, Y. Kayanuma. Photodissociation of 1,2-butadiene studied by time-resolved molecular orbital spectroscopy using single-order high harmonic pulses. Optics InfoBase Conference Papers. 2014

Education (3)：

2010 - 2013 Hokkaido University
2008 - 2010 Hokkaido University
2004 - 2008 Hokkaido University

Professional career (1)：

博士(理学) (北海道大学)

Work history (13)：

2023/04 - 現在 WPI-ICReDD Assistant Director
2023/04 - 現在 JST-FOREST
2023/04 - 現在 Hokkaido Univ. WPI-ICReDD Specially Appointed Associate Professor
2019/10 - 現在 (JST-ERATO)前田化学反応創成知能プロジェクト (量子化学グループリーダー)
2019/10 - 現在 (JST-ERATO)前田化学反応創成知能プロジェクト

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Awards (11)：

2021/03 - 日本化学会第70回(2020年度)進歩賞光機能性分子の設計に向けた無輻射失活経路探索法の開発
2020/05 - 理論化学会理論化学会第1回奨励賞
2016/05 - 第19回理論化学討論会: 優秀講演賞
2015/12 - 平成27年第2回CREST「分子技術」領域会議: プレゼンテーション優秀賞「銀賞」
2015/03 - 日本化学会第 95 春季年会(2015): 優秀講演賞(学術)

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Association Membership(s) (3)：

分子科学会 , 日本化学会 , 理論化学会

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