1985年6月	北海道札幌市で生まれる
2004年4月	北海道大学 理学部化学科
2008年4月	北海道大学 大学院理学院化学専攻 修士課程
2010年4月	北海道大学 大学院総合化学院総合化学専攻 博士後期課程
2012年4月	日本学術振興会特別研究員DC2 採用
2013年3月	博士(理学)取得（指導教官：武次 徹也 教授）
2013年4月	北海道大学 理学研究院化学部門 博士研究員
2013年6月	米国アイオワ州立大学 博士研究員
2014年1月	北海道大学 理学研究院化学部門 博士研究員
2014年4月	北海道大学 理学研究院化学部門 JST-CREST(前田 理 准教授) 博士研究員
2016年10月	北海道大学 理学研究院化学部門 JST-さきがけ専任研究員
2017年12月	北海道大学 理学研究院化学部門 助教
2019年4月	(兼任) 北海道大学 化学反応創成研究拠点 (WPI-ICReDD) 　兼務教員
2019年10月	(兼任) 北海道大学 前田化学反応創成知能プロジェクト (JST-ERATO) 　総括補佐

 

11.	2021年1月	日本化学会第70回（2020年度）進歩賞
10.	2020年5月	理論化学会 第1回奨励賞
9.	2016年5月	第19回 理論化学討論会: 優秀講演賞
8.	2015年12月	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」
7.	2015年3月	日本化学会第 95 春季年会(2015): 優秀講演賞（学術）
6.	2012年8月	日本化学会北海道支部２０１２年夏季研究発表会: 優秀講演賞
5.	2012年6月	14th International Congress of Quantum Chemistry (ICQC14): Outstanding Poster Award
4.	2012年6月	28th Symposium on Chemical Kinetics and Dynamics (第28回 化学反応討論会): Best Poster Prize
3.	2011年11月	第1回CSJ化学フェスタ: 優秀ポスター発表賞
2.	2011年9月	The Seventh Congress of the International Society for Theoretical Chemical Physics (ISTCP-VII): Fujitsu Poster Prizes
1.	2009年9月	第3回分子科学討論会: 優秀ポスター賞

19.	2022年3月14日	Sメンブレン第2回若手教員交流会・生体分子化学勉強会 合同講演会 オンライン 原渕　祐 量子化学計算を用いた反応経路探索：分子の光応答の理論解析
18.	2021年10月2日	令和3 年度 化学系学協会東北大会 オンライン 原渕　祐 A systematic exploration of non-radiative decay paths based on quantum chemical calculations: toward the theoretical design of photo-functional molecules
17.	2021年9月13日	近畿化学協会コンピュータ化学部会（第111回例会）公開(WEB)講演会 オンライン 原渕　祐 量子化学計算を用いた反応経路解析：光機能性分子への応用
16.	2021年5月13日	第23回理論化学討論会 オンライン 原渕　祐 分子の光応答を包括的に理解するための理論計算手法の開発と光機能性分子への応用, 1S02
15.	2021年3月19日	日本化学会第101春季年会（2021） オンライン 原渕　祐 Development of Systematic Search Method for Non Radiative Decay Pathways toward Designing Photofunctional Molecules, S02-1pm-03
14.	2020年10月8日	長崎県工業技術センター技術研究会 オンライン 原渕　祐 量子化学計算に基づく光反応の反応経路探索：光機能性分子の反応機構解析
13.	2019年12月17日	第9回量子化学スクール 岡崎コンファレンスセンター, 愛知 原渕　祐 量子化学計算を用いた反応経路解析
12.	2019年10月3日	The Asia-Pacific Association of Theoretical and Computational Chemists 2019 Sydney, Australia Yu Harabuchi Systematic Exploration of Conical Intersection Geometries Between the Ground and First Excited Electronic States Based on Time Dependent Density Functional Theory: Application to Photoreactions
11.	2019年2月15日	18-2 高分子学会講演会 東工大蔵前会館　ロイアルブルーホール, 東京 原渕　祐, 前田理 化学反応経路自動探索法の開発と応用：経路ネットワーク生成からスクリーニングまで
10.	2018年12月18日	第8回量子化学スクール 岡崎コンファレンスセンター, 愛知 原渕　祐 量子化学計算を用いた反応経路解析
9.	2018年7月2日	ＧＲＲＭチュートリアル２０１８ 貸し会議室プラザ八重洲北口、東京都 原渕　祐 GRRM17を用いた光反応解析
8.	2018年3月7日	International Congress on Pure & Applied Chemistry (ICPAC) 2018 Sokhalay Angkor Resort & Spa、Siem Reap、Cambodia Yu Harabuchi Theoretical study of decay paths in photoreactions based on automated exploration of minimum energy conical intersection and seam of crossing geometries
7.	2017年10月21日	IQCE量子化学探索講演会2017「量子化学で探る化学の最先端」 学士会館、東京都 原渕　祐 光反応の反応経路自動探索：内部転換・項間交差・蛍光・りん光過程の理論解析
6.	2017年3月6日	The 77th Okazaki Conference Series: International Symposium on Ultrafast Dynamics in Molecular and Material Sciences IMS(分子科学研究所)、愛知県 Yu Harabuchi Automated search for internal conversion and intersystem crossing pathways: Application to photoreactions
5.	2017年1月11日	China-Japan-Korea Workshop on Theoretical and Computational Chemistry (CJK-WTCC-III) KAIST、South Korea Yu Harabuchi Automated Search for Minimum Energy Conical Intersection and Seam of Crossing Geometries: Application to Photoreactions
4.	2016年10月12日	International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems 2016 (MSCRS2016) 名古屋大学、愛知県 Yu Harabuchi Systematic Exploration of Internal Conversion and Intersystem Crossing Pathways: Toward Prediction of Fluorescence Quantum Yields
3.	2016年3月14日	分子技術と理論計算・データ科学 大阪大学、大阪府 原渕　祐 円錐交差・項間交差自動探索法の開発と応用
2.	2015年12月15日	Pacifichem 2015 (The International Chemical Congress of Pacific Basin Societies 2015) Honolulu, Hawaii, USA. Yu Harabuchi, Tetsuya Taketsugu, Satoshi Maeda Automated Search for Minimum Energy Conical Intersection and Seam of Crossing Geometries near the Franck-Condon Region: Toward Prediction of Fluorescence Quantum Yields.
1.	2015年5月16日	化学反応のポテンシャル曲面とダイナミックス2015年 弘前大学、青森県 原渕　祐 Spin Flip-TDDFT法に基づく光反応の解析：分子動力学法と最小エネルギー円錐交差自動探索法

2023 (AssociateProf1)

68.	Challenges for Kinetics Predictions via Neural Network Potentials: A Wilkinson’s Catalyst Case Ruben Staub, Philippe Gantzer, Yu Harabuchi, Alexandre Varnek, Satoshi Maeda Molecule, 28, 4477 (2023).
67.	Searching Chemical Action and Network (SCAN): Interactive Chemical Reaction Path Network Platform Mikael Kuwahara, Yu Harabuchi, Satoshi Maeda, Jun Fujima, Keisuke Takahashi Digital Discovery, 2, 1104-1111 (2023).
66.	Virtual Ligand Strategy in Transition Metal Catalysis Toward Highly Efficient Elucidation of Reaction Mechanisms and Computational Catalyst Design Wataru Matsuoka, Yu Harabuchi, Satoshi Maeda ACS Catalysis, 13, 5697-5711 (2023).
65.	Highly chemoselective ligands for Suzuki–Miyaura cross-coupling reaction based on virtual ligand-assisted screening Wataru Matsuoka, Yu Harabuchi, Yuuya Nagata, Satoshi Maeda Org. Biomol. Chem., 21, 3132-3142 (2023).
64.	Exploring the Quantum Chemical Energy Landscape with GNN-Guided Artificial Force Atsuyuki Nakao, Yu Harabuchi, Satoshi Wada, Koji Tsuda J. Chem. Theory Comput., 19, 713-717 (2023).
63.	Toward Ab Initio Reaction Discovery Using the Artificial Force Induced Reaction Method Satoshi Maeda, Yu Harabuchi, Hiroki Hayashi, Tsuyoshi Mita Annu. Rev. Phys. Chem., 74, 287-311 (2023).

2022 (AssistantProf5)

62.	Prediction of High-Yielding Single-Step or Cascade Pericyclic Reactions for the Synthesis of Complex Synthetic Targets Tsuyoshi Mita, Hideaki Takano, Hiroki Hayashi, Wataru Kanna, Yu Harabuchi, Kendall N. Houk, Satoshi Maeda J. Am. Chem. Soc., 144, 22985-23000 (2022).
61.	A theory-driven synthesis of symmetric and unsymmetric 1,2-bis(diphenylphosphino)ethane analogues via radical difunctionalization of ethylene Hideaki Takano, Hitomi Katsuyama, Hiroki Hayashi, Wataru Kanna, Yu Harabuchi, Satoshi Maeda, Tsuyoshi Mita Nat. Commun., 13, 7034 (2022).
60.	Theoretical Investigation of Knowles Hydroamination Based on Systematic Exploration of Oxidation/Reduction Pathways for Photoredox-Catalyzed Radical Process Yu Harabuchi, Hiroki Hayashi, Hideaki Takano, Tsuyoshi Mita, Satoshi Maeda Angew. Chem. Int. Ed. Engl., 62, e202211936 (2022).
59.	Delayed fluorescence from inverted singlet and triplet excited states Naoya Aizawa, Yong-Jin Pu , Yu Harabuchi, Atsuko Nihonyanagi, Ryotaro Ibuka, Hiroyuki Inuzuka, Barun Dhara, Yuki Koyama, Ken-ichi Nakayama, Satoshi Maeda, Fumito Araoka, Daigo Miyajima Nature, 609, 502-506 (2022).
58.	Theoretical Study of Carbon Isotope Effects in the Nonclassical Carbonyl Cation CO/[M(CO)n]+ (M = Cu, Ag, Au; n = 1-4) Yuriko Ono, Takuro Tsutsumi, Yu Harabuchi, Tetsuya Taketsugu Chem. Phys. Lett., 806, 140008 (2022).
57.	In silico reaction screening with difluorocarbene for N-difluoroalkylative dearomatization of pyridines Hiroki Hayashi, Hitomi Katsuyama, Hideaki Takano, Yu Harabuchi, Satoshi Maeda, Tsuyoshi Mita Nat. Synth., 1, 804–814 (2022).
56.	Quantum Chemical Calculations to Trace Back Reaction Paths for the Prediction of Reactants Yosuke Sumiya, Yu Harabuchi, Yuuya Nagata, Satoshi Maeda JACS Au, 2, 1181-1188 (2022).
55.	Leveraging Algorithmic Search in Quantum Chemical Reaction Path Finding Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, Koji Tsuda * Phys. Chem. Chem. Phys., 12, 10305-10310 (2022).
54.	Virtual Ligand-Assisted Screening Strategy to Discover Enabling Ligands for Transition Metal Catalysis Wataru Matsuoka, Yu Harabuchi, Satoshi Maeda ACS Catalysis, 12, 3752-3766 (2022).
53.	Selecting molecules with diverse structures and properties by maximizing submodular functions of descriptors learned with graph neural networks Tomohiro Nakamura, Shinsaku Sakaue, Kaito Fujii, Yu Harabuchi, Satoshi Maeda, Satoru Iwata Sci. Rep, 12, 1124 (2022).
52.	Kinetic Analysis of a Reaction Path Network Including Ambimodal Transition States: A Case Study of an Intramolecular Diels?Alder Reaction Takuma Ito, Satoshi Maeda, Yu Harabuchi J. Chem. Theory Comput., 18, 1663–1671 (2022).
B3.	Reactivity Prediction through Quantum Chemical Calculations Satoshi Maeda, Yu Harabuchi, Taisuke Hasegawa, Kimichi Suzuki, Tsuyoshi Mita AsiaChem, 2, 56-63 (2021).

2021 (AssistantProf4)

51.	Radical Difunctionalization of Gaseous Ethylene Guided by Quantum Chemical Calculations: Selective Incorporation of Two Molecules of Ethylene Hideaki Takano, Yong You , Hiroki Hayashi, Yu Harabuchi, Satoshi Maeda,* Tsuyoshi Mita* ACS Omega, 6, 33846-33854 (2021).
50.	Anthraquinodimethane Ring-flip in Sterically Congested Alkenes: Isolation of Isomer and Elucidation of Intermediate through Experimental and Theoretical Approach Yusuke Ishigaki*, Tomoki Tadokoro, Yu Harabuchi, Yuki Hayashi, Satoshi Maeda,* Takanori Suzuki* Bull. Chem. Soc. Jpn., 95, 38–46 (2021).
49.	Carboxylation of a Palladacycle Formed via C(sp3)?H Activation: Theory-Driven Reaction Design Wataru Kanna, Yu Harabuchi, Hideaki Takano, Hiroki Hayashi, Satoshi Maeda,* Tsuyoshi Mita* Chem. Asian J., 16, 4072-4080 (2021).
48.	Switching the relaxation pathway by steric effects in conjugated dienes Tateharu Tentaku, Ryunosuke Atobe, Takuro Tsutsumi, Sota Sato, Yu Harabuchi, Tetsuya Taketsugu, Taro Sekikawa* J. Phys. B: At. Mol. Opt. Phys., 54, 174004 (2021).
47.	Exploring paths of chemical transformations in molecular and periodic systems: An approach utilizing force. Satoshi Maeda*, Yu Harabuchi WIREs Comput Mol Sci., 11, e1538 (2021).
46.	Synthesis of Difluoroglycine Derivatives from Amines, Difluorocarbene, and CO2: Computational Design, Scope, and Application Hiroki Hayashi, Hideaki Takano, Hitomi Katsuyama, Yu Harabuchi, Satoshi Maeda*, Tsuyoshi Mita* Chem. Eur. J., 27, 10040-10047 (2021).
45.	Substitution effect on the nonradiative decay and trans → cis photoisomerization route: a guideline to develop efficient cinnamate-based sunscreens Sin-nosuke Kinoshita, Yu Harabuchi, Yoshiya Inokuchi, Satoshi Maeda, Masahiro Ehara, Kaoru Yamazaki*, Takayuki Ebata* Phys. Chem. Chem. Phys., 23, 834-845 (2021).

2020 (AssistantProf3)

44.	Kinetic prediction of reverse intersystem crossing in organic donor?acceptor molecules Naoya Aizawa*, Yu Harabuchi*, Satoshi Maeda, Yong-Jin Pu Nat. Commun., 11, 3909 (6 pages) (2020).
43.	AFIR Explorations of Transition States of Extended Unsaturated Systems: Automatic Location of Ambimodal Transition States Takuma Ito, Yu Harabuchi*, Satoshi Maeda* Phys. Chem. Chem. Phys., 22, 13942-13950 (2020).
42.	Discovery of a Synthesis Method for a Difluoroglycine Derivative based on a Path Generated by Quantum Chemical Calculations Tsuyoshi Mita*, Yu Harabuchi, Satoshi Maeda* Chem. Sci., 11, 7569-7577 (2020).
41.	Trajectory on‐the‐fly molecular dynamics approach to tunneling splitting in the electronic excited state: A case of tropolone Yusuke Ootani*, Aya Satoh, Yu Harabuchi, Tetsuya Taketsugu* J. Comput. Chem., 41, 1549-1556 (2020).
40.	Fluorescence Enhancement of Aromatic Macrocycles by Lowering Excited Singlet State Energies Koki Ikemoto, Toshiki Tokuhira, Akari Uetani, Yu Harabuchi, Sota Sato, Satoshi Maeda, Hiroyuki Isobe* J. Org. Chem., 85, 150-157 (2020).

2019 (AssistantProf2)

39.	Anharmonic Vibrational Computations with a Quartic Force Field for Curvilinear Coordinates Yu Harabuchi, Ryosuke Tani, Nuwan DeSilva, Bosiljka Njegic, Mark S. Gordon, Tetsuya Taketsugu* J. Chem. Phys., 151, 064104 (2019).
38.	Direct observation of the doorway 1nπ* state of methylcinnamate and hydrogen-bonding effects on the photochemistry of cinnamate-based sunscreens Sin-nosuke Kinoshita, Yoshiya Inokuchi, Yuuki Onitsuka, Hiroshi Kohguchi, Nobuyuki Akai, Takafumi Shiraogawa, Masahiro Ehara,* Kaoru Yamazaki,* Yu Harabuchi, Satoshi Maeda, Takayuki Ebata* Phys. Chem. Chem. Phys., 21, 19755-19763 (2019).
37.	On Benchmarking of Automated Methods for Performing Exhaustive Reaction Path Search Satoshi Maeda,* Yu Harabuchi J. Chem. Theory Comput., 15, 2111-2115 (2019).
36.	Exploring approximate geometries of minimum energy conical intersections by TDDFT calculations Yu Harabuchi,* Miho Hatanaka, Satoshi Maeda* Chem. Phys. Lett., 2, 100007 (8 pages) (2019).
35.	Femtosecond electronic relaxation and real-time vibrational dynamics in 2’-hydroxychalcon Yoshihiro Yamakita,* Nanae Yokoyama, Xue Bing, Naoyuki Shiokawa, Yu Harabuchi, Satoshi Maeda, Takayoshi Kobayashi* Phys. Chem. Chem. Phys., 21, 5344-5358 (2019).

2018 (AssistantProf1)

34.	On-the-fly molecular dynamics study of the excited-state branching reaction of α-methyl-cis-stilbene Takuro Tsutsumi, Yu Harabuchi, Rina Yamamoto, Satoshi Maeda, Tetsuya Taketsugu* Chem. Phys., 515, 564-571 (2018).
33.	Resolving the Excited State Relaxation Dynamics of Guanosine Monomers and Hydrogen-Bonded Homodimers in Chloroform Solution Rebecca A. Ingle, Gareth M. Roberts, Katharina Rottger, Hugo J. B. Marroux, Frank D. Sonnichsen, Ming Yang, ?ukasz Szyc, Yu Harabuchi, Satoshi Maeda, Friedrich Temps, Andrew J. Orr-Ewing* Chem. Phys., 515, 480-492 (2018).
32.	Excited State Reactivity of [Mn(imidazole)(CO)3(phen)]+: a structural exploration Maria Fumanal, Yu Harabuchi, E. Gindensperger, Satoshi Maeda*, Chantal Daniel* J. Comput. Chem., 40, 72-81 (2018).
31.	Exploring potential crossing seams in periodic systems: Intersystem crossing pathways in the benzene crystal Kenichiro Saita*, Makito Takagi, Yu Harabuchi, Haruki Okada, Satoshi Maeda* J. Chem. Phys., 149, 072329 (9 pages) (2018).
30.	Different Photoisomerization Routes Found in the Structural Isomers of Hydroxy Methylcinnamate Sin-nosuke, Kinoshita, Yasunori Miyazaki, MasatakaSumida, Yuuki Onitsuka, Hiroshi Kohguchi, Yoshiya Inokuchi, Nobuyuki Akai, Takafumi Shiraogawa, Masahiro Ehara*, Kaoru Yamazaki*, Yu Harabuchi, Satoshi Maeda, Tetsuya Taketsugu, and Takayuki Ebata*, Phys. Chem. Chem. Phys., 20, 17583-17598 (2018).
29.	Time-Dependent Density Functional Theory Study on Higher Low-Lying Excited States of Au25(SR)18– Masanori Ebina, Takeshi Iwasa*, Yu Harabuchi and Tetsuya Taketsugu*, J. Phys. Chem. C, 122, 4097-4104 (2018).
28.	Exploring radiative and nonradiative decay paths in indole, isoindole, quinoline, and isoquinoline Yu Harabuchi*, Kenichiro Saita and Satoshi Maeda*, Photochem. Photobiol. Sci., 17, 315-322 (2018).
27.	Analyses of trajectory on-the-fly based on the global reaction route map Takuro Tsutsumi, Yu Harabuchi, Yuriko Ono, Satoshi Maeda, and Tetsuya Taketsugu* Phys. Chem. Chem. Phys., 20, 1364-1372 (2018).
26.	Implementation and Performance of the Artificial Force Induced Reaction Method in the GRRM17 Program Satoshi. Maeda*, Yu Harabuchi, Makito Takagi, Kenichiro Saita, Kanami Suzuki, Tomoya Ichino, Yosuke Sumiya, Kanami Sugiyama, and Yuriko Ono J. Comp. Chem., 39, 233-251 (2018).

2017 (PRESTO1)

25.	Combined Gradient Projection / Single Component Artificial Force Induced Reaction (GP/SC-AFIR) Method for an Efficient Search of Minimum Energy Conical Intersection (MECI) Geometries Yu Harabuchi, Tetsuya Taketsugu, and Satoshi Maeda*, Chem. Phys. Lett. 674, 141-145 (2017).
J.3	反応経路自動探索法の触媒反応への展開 前田 理*, 原渕 祐、斉田 謙一郎 触媒（Catalysts and Catalysis） Vol.59 No.4, 2017
B.1	Ab initio molecular dynamics study on photoisomerization reactions: Applications to azobenzene and stilbene Tetsuya Taketsugu*, Yu Harabuchi Frontiers of Quantum Chemistry. Springer, Singapore, 431-453 (2017). In: Wojcik M., Nakatsuji H., Kirtman B., Ozaki Y. (eds)

2016 (PD3~PRESTO1)

24.	Ab Initio Molecular Dynamics Study on Photoreaction of 1,1′-Dimethylstilbene Upon S0 → S1 Excitation Yu Harabuchi, Rina Yamamoto, Satoshi Maeda, Satoshi Takeuchi, Tahei Tahara, and Tetsuya Taketsugu*, J. Phys. Chem. A, 120, 8804-8812 (2016).
23.	Multi-Step Intersystem Crossing Pathways in Cinnamate-Based UV-B Sunscreens, Kaoru Yamazaki, Yasunori Miyazaki, Yu Harabuchi, Tetsuya Taketsugu, Satoshi Maeda*, Yoshiya Inokuchi, Shin-nosuke Kinoshita, Masataka Sumida, Yuuki Onitsuka, Hiroshi Kohguchi, Masahiro Ehara*, and Takayuki Ebata*, J. Phys. Chem. Lett., 7, 4001-4007 (2016).
22.	Orbital energy-based reaction analysis of SN2 reactions Takao Tsuneda*, Satoshi Maeda, Yu Harabuchi, and Raman K. Singh, Computation, 4, 23 (2016).
J.2	分子の分かれ道 武次徹也*, 原渕祐, 小野ゆり子, 前田理 化学, Vol.71, No.7, 70 (2016).
21.	Structural dynamics of photochemical reactions probed by time-resolved photoelectron spectroscopy using high harmonic pulse Ryo Iikubo, Taro Sekikawa*, Yu Harabuchi, and Tetsuya Taketsugu, Faraday Discuss., 194, 147-160 (2016).
20.	Theoretical study on mechanism of the photochemical ligand substitution of fac-[ReI(bpy)(CO)3(PR3)]+ complex Kenichiro Saita*, Yu Harabuchi, Tetsuya Taketsugu, O. Ishitani, and Satoshi Maeda*, Phys. Chem. Chem. Phys., 18, 17557-17564 (2016).
19.	Artificial Force Induced Reaction (AFIR) Method for Exploring Quantum Chemical Potential Energy Surfaces Satoshi Maeda*, Yu Harabuchi, Makito Takagi, Tetsuya Taketsugu, and Keiji Morokuma, Chem. Rec., 16, 2232-2248 (2016).
18.	Nonadiabatic Pathways of Furan and Dibenzofuran: What Makes Dibenzofuran Fluorescent? Yu Harabuchi*, Tetsuya Taketsugu, Satoshi Maeda*, Chem. Lett., 45, 940-942 (2016).
17.	Exploring the Mechanism of Ultrafast Intersystem Crossing in Re(I) Carbonyl Bipyridine Halide Complexes: Key Vibrational Modes and Spin-Vibronic Quantum Dynamics Yu Harabuchi, Julien Eng, Etienne Gindensperger*, Tetsuya Taketsugu, Satoshi Maeda*, and Chantal Daniel* J. Chem. Theo. Comp., 12, 2335-2345 (2016).
16.	Contrasting ring-opening propensities in UV-excited α-pyrone and coumarin Daniel Murdock*, Rebecca A. Ingle, Igor V. Sazanovich, Ian P. Clark, Yu Harabuchi, Tetsuya Taketsugu, Satoshi Maeda, Andrew J. Orr-Ewinga and Michael N. R. Ashfolda, Phys. Chem. Chem. Phys., 18, 2629-2638 (2016).
15.	Non-Totally Symmetric Trifurcation of an S32 Reaction Pathway Yu Harabuchi, Yuriko Ono, Satoshi Maeda, Tetsuya Taketsugu, Kristopher Keipert, and Mark S. Gordon*, J. Comp. Chem., 37, 487-493 (2016).

2015 (PD2~PD3)

J1.	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 関川太郎, 飯窪亮, 原渕祐, 佐藤壮太，武次徹也, 萱沼洋輔 レーザー研究, レーザー学会誌, 43, 833-837 (2015).
14.	Response to "Comment on 'Analyses of bifurcation of reaction pathways on a global reaction route map: A case study of gold cluster Au5'" [J. Chem. Phys. 143, 177101 (2015)] Yu Harabuchi, Yuriko Ono, Satoshi Maeda, and Tetsuya Taketsugu*, J. Chem. Phys., 143, 177102.1-2 (2015).
13.	Exploration of Minimum Energy Conical Intersection Structures of Small Polycyclic Aromatic Hydrocarbons: Impact on the Size Dependence of Fluorescence Quantum Yields Yu Harabuchi, Tetsuya Taketsugu, and S Maeda*, Phys. Chem. Chem. Phys., 17, 22561-22565 (2015).
12.	Analyses of bifurcation of reaction pathways on a global reaction route map: a case study of gold cluster Au5 Yu Harabuchi, Yuriko Ono, Satoshi Maeda, and Tetsuya Taketsugu*, J. Chem. Phys., 143, 014301.1-7 (2015).
11.	Time-Resolved Photoelectron Spectroscopy of Dissociating 1,2-Butadiene Molecules by High Harmonic Pulses Ryo Iikubo, Takehisa Fujiwara, Taro Sekikawa*, Yu Harabuchi, Sota Satoh, Tetsuya Taketsugu, and Yosuke Kayanuma, J. Phys. Chem. Lett., 6, 2463-2468 (2015).
10.	Intrinsic Reaction Coordinate: Calculation, Bifurcation, and Automated Search Satoshi Maeda*, Yu Harabuchi, Yuriko Ono, Tetsuya Taketsugu*, and Keiji Morokuma*, Int. J. Quantum Chem. (Special Issue: Theoretical Chemistry in Japan; Front Cover), 115, 258-269 (2015).

2014 (PD1~PD2)

9.	Systematic Exploration of Minimum Energy Conical Intersection Structures near the Franck-Condon Region Satoshi Maeda*, Yu Harabuchi, Tetsuya Taketsugu, and Keiji Morokuma, J. Phys. Chem. A (David R. Yarkony Festschrift special issue), 118, 12050-12058 (2014).
8.	Dynamics Simulations with Spin-Flip Time Dependent Density Functional Theory: Photoisomerization and Photocyclization Mechanisms of Cis-Stilbene in pp* States Yu Harabuchi, Kristopher Keipert, Federico Zahariev, Tetsuya Taketsugu, and Mark S. Gordon*, J. Phys. Chem. A (David R. Yarkony Festschrift special issue), 118, 11987-11998 (2014).
7.	Ultrafast Relaxation Dynamics in trans-1,3-Butadiene Studied by Time-Resolved Photoelectron Spectroscopy with High Harmonic Pulses Ayumu Makida, Hironori Igarashi, Takehisa Fujiwara, Taro Sekikawa*, Yu Harabuchi, and Tetsuya Taketsugu J. Phys. Chem. Lett., 5, 1760-1765 (2014).
6.	Direct Pathway for Water Gas Shift Reaction in Gas Phase Yu Harabuchi, Satoshi Maeda, Tetsuya Taketsugu, and Koichi Ohno*, , Chem. Lett., 43, 193-195 (2014).

2013 (D3~PD1)

5.	Automated search for minimum energy conical intersection geometries between the lowest two singlet states S0/S1-MECIs by the spin-flip DFT method Yu Harabuchi, Satoshi Maeda*, Tetsuya Taketsugu, Noriyuki Minezawa, and Keiji Morokuma*, J. Chem. Theo. Comp., 9, 4116-4123 (2013).
4.	Photophysics of Cytosine Tautomers: New Insights into the Nonradiative Decay Mechanisms from MS-CASPT2 Potential Energy Calculations and Excited-state Molecular Dynamics Simulations Akira Nakayama*, Yu Harabuchi, Shohei Yamazaki, and Tetsuya Taketsugu, Phys. Chem. Chem. Phys., 15, 12322-12339 (2013).
3.	A multireference perturbation study of the NN stretching frequency of trans-azobenzene in np* excitation and an implication for the photoisomerization mechanism Yu Harabuchi, Moe Ishii, Akira Nakayama, Takeshi Noro, and Tetsuya Taketsugu*, J. Chem. Phys., 138, 064305.1-7 (2013).

2012 (D2~D3)

2.	Trifurcation of the Reaction Pathway Yu Harabuchi, Akira Nakayama, and Tetsuya Taketsugu*, Comp. Theo. Chem., 1000, 70-74 (2012).

2011 (D1~D2)

1.	A Significant Role of the Totally Symmetric Valley-Ridge Inflection Point in the Bifurcating Reaction Pathway Yu Harabuchi and Tetsuya Taketsugu*, Theo. Chem. Acc. (Prof. Nagase issue), 130, 305-315 (2011).

 

 

2019 (AssistantProf2)

           

 

2018 (AssistantProf1)

           

 

2017 (PRESTO1)

       

 

2016 (PD3~PRESTO1)

 

 

2015 (PD2~PD3)

       

 

2014 (PD1~PD2)

   

 

2013 (D3~PD1)

       

 

2012 (D2~D3)

   

 

2011 (D1~D2)

     

 

2010 (M2~D1)