Details of the Researcher

PHOTO

Manabu Kanno
Section
Graduate School of Science
Job title
Assistant Professor
Degree

  • 博士（理学）（東北大学）

  • 修士（理学）（東北大学）

Research History 3

  • 2010/10 - Present
    Tohoku University　Department of Chemistry, Graduate School of Science　Assistant Professor

  • 2009/04 - 2010/09
    University of Tokyo　Department of Basic Science, Graduate School of Arts and Sciences　JSPS Research Fellow PD

  • 2006/04 - 2009/03
    Tohoku University　Department of Chemistry, Graduate School of Science　JSPS Research Fellow DC1

Education 2

  • Tohoku University　Graduate School, Division of Natural Science　Department of Chemistry

    2004/04 - 2009/03

  • Tohoku University　Faculty of Science　Department of Chemistry

    2000/04 - 2004/03

Committee Memberships 6

  • 東北大学生活協同組合　教職員・院生組織委員会副委員長

    2025/04 - Present

  • 東北大学生活協同組合　常務理事

    2021/05 - Present

  • 東北大学生活協同組合　教職員・院生組織委員

    2015/01 - 2025/03

  • 分子科学会　速報配信担当

    2021/10 - 2023/09

  • 東北大学生活協同組合　理事

    2018/05 - 2021/05

  • 日本化学会東北支部　会計幹事

    2011/02 - 2012/02

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Professional Memberships 3

  • Japan Society of Theoretical Chemistry

  • Japan Society for Molecular Science

  • The Chemical Society of Japan

Research Interests 3

  • Theoretical and Computational Chemistry

  • Reaction Dynamics

  • Electron Dynamics

Research Areas 1

  • Nanotechnology/Materials / Basic physical chemistry /

Awards 7

  1. 第6回原子・分子・光科学（AMO）討論会ポスター発表賞

    2018/06　原子・分子・光科学（AMO）討論会実行委員会　分子モーター光異性化反応の非断熱動力学シミュレーション

  2. PCCP Prize 2015 for Outstanding Achievement of Young Scientists in Physical Chemistry and Chemical Physics

    2015/03/27　Royal Society of Chemistry　Laser Control of Attosecond Electron Dynamics Nonadiabatically Coupled with Femtosecond Molecular Vibrations

  3. 日本化学会第89春期年会学生講演賞

    2009/04　日本化学会　直線偏光レーザーパルス励起キラル芳香族分子の環電流制御と非断熱核波束ダイナミクス

  4. 平成20年度青葉理学振興会賞

    2009/03　青葉理学振興会

  5. 平成20年度化学専攻賞

    2009/03　東北大学大学院理学研究科化学専攻

  6. 平成17年度東北大学総長賞

    2006/03　東北大学

  7. 平成16年度藤瀬新一郎博士奨学賞

    2004/05　東北大学大学院理学研究科化学専攻

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Papers 38

  1. Machine Learning-Enhanced Structure-Based Gaussian Expansion for Efficient Wavepacket Calculations Peer-reviewed

    Takumi Koshiba, Manabu Kanno, Fuminori Misaizu, Hirohiko Kono

    The Journal of Physical Chemistry Letters　16　(24)　5986-5992　2025/06/07

    Publisher: American Chemical Society (ACS)

    DOI： 10.1021/acs.jpclett.5c01254 　

    ISSN： 1948-7185

    eISSN： 1948-7185

  2. Time-resolved photoelectron diffraction imaging of methanol photodissociation involving molecular hydrogen ejection Peer-reviewed

    Kazuki Yoshikawa, Manabu Kanno, Hao Xue, Naoki Kishimoto, Soki Goto, Fukiko Ota, Yoshiaki Tamura, Florian Trinter, Kilian Fehre, Leon Kaiser, Jonathan Stindl, Dimitrios Tsitsonis, Markus Schöffler, Reinhard Dörner, Rebecca Boll, Benjamin Erk, Tommaso Mazza, Terence Mullins, Daniel E. Rivas, Philipp Schmidt, Sergey Usenko, Michael Meyer, Enliang Wang, Daniel Rolles, Artem Rudenko, Edwin Kukk, Till Jahnke, Sergio Díaz-Tendero, Fernando Martín, Keisuke Hatada, Kiyoshi Ueda

    Physical Chemistry Chemical Physics　26　(38)　25118-25130　2024/10/02

    Publisher: Royal Society of Chemistry (RSC)

    DOI： 10.1039/d4cp01015a 　

    ISSN： 1463-9076

    eISSN： 1463-9084

    More details Close

    We explore time- and momentum-resolved photoelectron diffraction imaging (TMR-PED) to visualize hydrogen dynamics during methanol dication dissociation. Our approach allows real-time tracking of hydrogen migration and molecular fragmentation.

  3. Tracing Photoinduced Hydrogen Migration in Alcohol Dications from Time-Resolved Molecular-Frame Photoelectron Angular Distributions Peer-reviewed

    T. Kuraoka, S. Goto, M. Kanno, S. Díaz-Tendero, J. Reino-González, F. Trinter, A. Pier, L. Sommerlad, N. Melzer, O. D. McGinnis, J. Kruse, T. Wenzel, T. Jahnke, H. Xue, N. Kishimoto, K. Yoshikawa, Y. Tamura, F. Ota, K. Hatada, K. Ueda, F. Martín

    The Journal of Physical Chemistry A　128　(7)　1241-1249　2024/02/07

    Publisher: American Chemical Society (ACS)

    DOI： 10.1021/acs.jpca.3c07640 　

    ISSN： 1089-5639

    eISSN： 1520-5215

  4. Highly Efficient Intramolecular Proton Transfer in p-Aminobenzoic Acid by a Single Ammonia Molecule as a Vehicle Peer-reviewed

    Keijiro Ohshimo, Ryosuke Sato, Yuya Takasaki, Kengo Tsunoda, Ryosuke Ito, Manabu Kanno, Fuminori Misaizu

    The Journal of Physical Chemistry Letters　14　(37)　8281-8288　2023/09/21

    Publisher: American Chemical Society (ACS)

    DOI： 10.1021/acs.jpclett.3c01996 　

    ISSN： 1948-7185

    eISSN： 1948-7185

  5. A Structure-Based Gaussian Expansion for Quantum Reaction Dynamics in Molecules: Application to Hydrogen Tunneling in Malonaldehyde Peer-reviewed

    Kazuma Suzuki, Manabu Kanno, Shiro Koseki, Hirohiko Kono

    The Journal of Physical Chemistry A　127　(18)　4152-4165　2023/05/11

    Publisher: American Chemical Society (ACS)

    DOI： 10.1021/acs.jpca.2c09088 　

    ISSN： 1089-5639

    eISSN： 1520-5215

  6. Identification of an ultrafast internal conversion pathway of pyrazine by time-resolved vacuum ultraviolet photoelectron spectrum simulations Peer-reviewed

    Manabu Kanno, Benoît Mignolet, Françoise Remacle, Hirohiko Kono

    The Journal of Chemical Physics　154　(22)　224304-224304　2021/06/14

    Publisher: AIP Publishing

    DOI： 10.1063/5.0048900 　

    ISSN： 0021-9606

    eISSN： 1089-7690

  7. Ultrafast Ring-Opening Reaction of 1,3-Cyclohexadiene: Identification of Nonadiabatic Pathway via Doubly Excited State Peer-reviewed

    Shutaro Karashima, Alexander Humeniuk, Ryuta Uenishi, Takuya Horio, Manabu Kanno, Tetsuro Ohta, Junichi Nishitani, Roland Mitrić, Toshinori Suzuki

    Journal of the American Chemical Society　143　(21)　8034-8045　2021/06/02

    DOI： 10.1021/jacs.1c01896 　

    ISSN： 0002-7863

    eISSN： 1520-5126

  8. A fast and robust trajectory surface hopping method: Application to the intermolecular photodissociation of a carbon dioxide dimer cation (CO2)2+ Invited Peer-reviewed

    Manabu Kanno, Toshiaki Maeda, Yuji Nakashima, Fuminori Misaizu, Hirohiko Kono

    The Journal of Chemical Physics　154　(16)　164108-164108　2021/04/28

    Publisher: AIP Publishing

    DOI： 10.1063/5.0045402 　

    ISSN： 0021-9606

    eISSN： 1089-7690

  9. Synthesis, Structure and Physical Properties of (trans-TTF-py2)1.5(PF6)·EtOH: A Molecular Conductor with Weak CH∙∙∙N Hydrogen Bondings Invited Peer-reviewed

    Shohei Koyama, Morio Kawai, Shinya Takaishi, Masahiro Yamashita, Norihisa Hoshino, Tomoyuki Akutagawa, Manabu Kanno, Hiroaki Iguchi

    Crystals　10　(12)　1081-1081　2020/11/26

    Publisher: MDPI AG

    DOI： 10.3390/cryst10121081 　

    eISSN： 2073-4352

    More details Close

    The studies of crystal structures with hydrogen bonds have been actively pursued because of their moderate stabilization energy for constructing unique structures. In this study, we synthesized a molecular conductor based on 2,6-bis(4-pyridyl)-1,4,5,8-tetrathiafulvalene (trans-TTF-py2). Two pyridyl groups were introduced into the TTF skeleton toward the structural exploration in TTF-based molecular conductors involved by hydrogen bonds. In the obtained molecular conductor, (trans-TTF-py2)1.5(PF6)·EtOH, short contacts between the pyridyl group and the hydrogen atom of the TTF skeleton were observed, indicating that hydrogen bonding interactions were introduced in the crystal structure. Spectroscopic measurements and conductivity measurement revealed semiconducting behavior derived from π-stacked trans-TTF-py2 radical in the crystal structure. Finally, these results are discussed with the quantified hydrogen bonding stabilization energy, and the band calculation of the crystal obtained from density functional theory calculation.

  10. Ionization and dissociation dynamics of H2O in ultrashort intense near-IR laser fields by the time-dependent adiabatic state method and the time-dependent configuration interaction method Peer-reviewed

    Sho Koh, Kaoru Yamazaki, Manabu Kanno, Hirohiko Kono, Kaoru Yamanouchi

    Chemical Physics Letters　742　137165　2020/03

    Publisher: Elsevier BV

    DOI： 10.1016/j.cplett.2020.137165 　

    ISSN： 0009-2614

  11. Capturing the photo-induced dynamics of nano-molecules by X-ray free electron laser induced Coulomb explosion Invited Peer-reviewed

    Kaoru Yamazaki, Naoyuki Niitsu, Manabu Kanno, Kiyoshi Ueda, Hirohiko Kono

    The Journal of Chemical Physics　151　(12)　124305-124305　2019/09

    DOI： 10.1063/1.5115072 　

    ISSN： 0021-9606

    eISSN： 1089-7690

  12. Real-time observation of X-ray-induced intramolecular and interatomic electronic decay in CH2I2. International-journal Peer-reviewed

    Hironobu Fukuzawa, Tsukasa Takanashi, Edwin Kukk, Koji Motomura, Shin-Ichi Wada, Kiyonobu Nagaya, Yuta Ito, Toshiyuki Nishiyama, Christophe Nicolas, Yoshiaki Kumagai, Denys Iablonskyi, Subhendu Mondal, Tetsuya Tachibana, Daehyun You, Syuhei Yamada, Yuta Sakakibara, Kazuki Asa, Yuhiro Sato, Tsukasa Sakai, Kenji Matsunami, Takayuki Umemoto, Kango Kariyazono, Shinji Kajimoto, Hikaru Sotome, Per Johnsson, Markus S Schöffler, Gregor Kastirke, Kuno Kooser, Xiao-Jing Liu, Theodor Asavei, Liviu Neagu, Serguei Molodtsov, Kohei Ochiai, Manabu Kanno, Kaoru Yamazaki, Shigeki Owada, Kanade Ogawa, Tetsuo Katayama, Tadashi Togashi, Kensuke Tono, Makina Yabashi, Aryya Ghosh, Kirill Gokhberg, Lorenz S Cederbaum, Alexander I Kuleff, Hiroshi Fukumura, Naoki Kishimoto, Artem Rudenko, Catalin Miron, Hirohiko Kono, Kiyoshi Ueda

    Nature communications　10　(1)　2186　2019/05/16

    DOI： 10.1038/s41467-019-10060-z 　

    More details Close

    The increasing availability of X-ray free-electron lasers (XFELs) has catalyzed the development of single-object structural determination and of structural dynamics tracking in real-time. Disentangling the molecular-level reactions triggered by the interaction with an XFEL pulse is a fundamental step towards developing such applications. Here we report real-time observations of XFEL-induced electronic decay via short-lived transient electronic states in the diiodomethane molecule, using a femtosecond near-infrared probe laser. We determine the lifetimes of the transient states populated during the XFEL-induced Auger cascades and find that multiply charged iodine ions are issued from short-lived (∼20 fs) transient states, whereas the singly charged ones originate from significantly longer-lived states (∼100 fs). We identify the mechanisms behind these different time scales: contrary to the short-lived transient states which relax by molecular Auger decay, the long-lived ones decay by an interatomic Coulombic decay between two iodine atoms, during the molecular fragmentation.

  13. Diffractive Imaging of C60 Structural Deformations Induced by Intense Femtosecond Midinfrared Laser Fields Peer-reviewed

    Harald Fuest, Yu Hang Lai, Cosmin I. Blaga, Kazuma Suzuki, Junliang Xu, Philipp Rupp, Hui Li, Pawel Wnuk, Pierre Agostini, Kaoru Yamazaki, Manabu Kanno, Hirohiko Kono, Matthias F. Kling, Louis F. DiMauro

    Physical Review Letters　122　(5)　053002　2019/02

    DOI： 10.1103/PhysRevLett.122.053002 　

  14. Visible photodissociation of the CO2 dimer cation: fast and slow dissociation dynamics in the excited state Peer-reviewed

    Yuji Nakashima, Kenichi Okutsu, Keita Fujimoto, Yuri Ito, Manabu Kanno, Motoyoshi Nakano, Keijiro Ohshimo, Hirohiko Kono, Fuminori Misaizu

    Physical Chemistry Chemical Physics　21　(6)　3083-3091　2019/02

    DOI： 10.1039/c8cp07068g 　

  15. An efficient approximate algorithm for nonadiabatic molecular dynamics Peer-reviewed

    Kota Hanasaki, Manabu Kanno, Thomas A. Niehaus, Hirohiko Kono

    The Journal of Chemical Physics　149　(24)　244117　2018/12

    DOI： 10.1063/1.5046757 　

  16. Ultrafast nonradiative transition pathways in photo-excited pyrazine: Ab initio analysis of time-resolved vacuum ultraviolet photoelectron spectrum Invited Peer-reviewed

    Benoît Mignolet, Manabu Kanno, Noriyuki Shimakura, Shiro Koseki, Françoise Remacle, Hirohiko Kono, Yuichi Fujimura

    Chemical Physics　515　704-709　2018/11

    DOI： 10.1016/j.chemphys.2018.07.015 　

  17. Automatic spatial extension of a time-dependent wavefunction expanded in terms of Gaussians: Application to multidimensional tunneling Peer-reviewed

    Yuta Arai, Kazuma Suzuki, Manabu Kanno, Hirohiko Kono

    Chemical Physics Letters　708　170-176　2018/09

    DOI： 10.1016/j.cplett.2018.07.022 　

  18. A crystalline molecular gyrotop with a biphenylene dirotor and its temperature-dependent birefringence Peer-reviewed

    Atsushi Fujiwara, Yusuke Inagaki, Hiroyuki Momma, Eunsang Kwon, Kentaro Yamaguchi, Manabu Kanno, Hirohiko Kono, Wataru Setaka

    CRYSTENGCOMM　19　(40)　6049-6056　2017/10

    DOI： 10.1039/c7ce01081h 　

    ISSN： 1466-8033

  19. Single-active-electron analysis of laser-polarization effects on atomic/molecular multiphoton excitation Peer-reviewed

    Manabu Kanno, Nobuyoshi Inada, Hirohiko Kono

    JOURNAL OF CHEMICAL PHYSICS　147　(15)　154310　2017/10

    DOI： 10.1063/1.4994876 　

    ISSN： 0021-9606

    eISSN： 1089-7690

  20. Ultrafast Coulomb explosion of a diiodomethane molecule induced by an X-ray free-electron laser pulse Invited Peer-reviewed

    Tsukasa Takanashi, Kosuke Nakamura, Edwin Kukk, Koji Motomura, Hironobu Fukuzawa, Kiyonobu Nagaya, Shin-ichi Wada, Yoshiaki Kumagai, Denys Iablonskyi, Yuta Ito, Yuta Sakakibara, Daehyun You, Toshiyuki Nishiyama, Kazuki Asa, Yuhiro Sato, Takayuki Umemoto, Kango Kariyazono, Kohei Ochiai, Manabu Kanno, Kaoru Yamazaki, Kuno Kooser, Christophe Nicolas, Catalin Miron, Theodor Asavei, Liviu Neagu, Markus Schoeffler, Gregor Kastirke, Xiao-Jing Liu, Artem Rudenko, Shigeki Owada, Tetsuo Katayama, Tadashi Togashi, Kensuke Tono, Makina Yabashi, Hirohiko Kono, Kiyoshi Ueda

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　19　(30)　19707-19721　2017/08

    DOI： 10.1039/c7cp01669g 　

    ISSN： 1463-9076

    eISSN： 1463-9084

  21. Ultrafast Dynamics of a Nucleobase Analogue Illuminated by a Short Intense X-ray Free Electron Laser Pulse Peer-reviewed

    K. Nagaya, K. Motomura, E. Kukk, H. Fukuzawa, S. Wada, T. Tachibana, Y. Ito, S. Mondal, T. Sakai, K. Matsunami, R. Koga, S. Ohmura, Y. Takahashi, M. Kanno, A. Rudenko, C. Nicolas, X. -J. Liu, Y. Zhang, J. Chen, M. Anand, Y. H. Jiang, D. -E. Kim, K. Tono, M. Yabashi, H. Kono, C. Miron, M. Yao, K. Ueda

    PHYSICAL REVIEW X　6　(2)　021035　2016/06

    DOI： 10.1103/PhysRevX.6.021035 　

    ISSN： 2160-3308

  22. 22pAE-1 Multiple Ionization and Ultrafast Dissociation of 5-Iodouracil Molecule Induced by Intense XFEL Pulses

    Mondal Subhendu, Kukk Edwin, Rudenko Artem, Nicolas Christophe, Liu XiaoJing, Miron Catalin, Zhang Yizhu, Jiang Yuhai, Chen Jianhui, Mailam Anand, Kim Don Eon

    Meeting Abstracts of the Physical Society of Japan　71　809-809　2016

    Publisher: The Physical Society of Japan (JPS)

    DOI： 10.11316/jpsgaiyo.71.1.0_809 　

    ISSN： 2189-079X

  23. Femtosecond charge and molecular dynamics of I-containing organic molecules induced by intense X-ray free-electron laser pulses Invited Peer-reviewed

    K. Nagaya, K. Motomura, E. Kukk, Y. Takahashi, K. Yamazaki, S. Ohmura, H. Fukuzawa, S. Wada, S. Mondal, T. Tachibana, Y. Ito, R. Koga, T. Sakai, K. Matsunami, K. Nakamura, M. Kanno, A. Rudenko, C. Nicolas, X-J Liu, C. Miron, Y. Zhang, Y. Jiang, J. Chen, M. Anand, D. E. Kim, K. Tono, M. Yabashi, M. Yao, H. Konoe, K. Ueda

    FARADAY DISCUSSIONS　194　537-562　2016

    DOI： 10.1039/c6fd00085a 　

    ISSN： 1359-6640

    eISSN： 1364-5498

  24. Ab initio quantum dynamical analysis of ultrafast nonradiative transitions via conical intersections in pyrazine Peer-reviewed

    Manabu Kanno, Yuta Ito, Noriyuki Shimakura, Shiro Koseki, Hirohiko Kono, Yuichi Fujimura

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　17　(3)　2012-2024　2015

    DOI： 10.1039/c4cp04807e 　

    ISSN： 1463-9076

    eISSN： 1463-9084

  25. Communication: Two-step explosion processes of highly charged fullerene cations C-60(q+) (q=20-60) Peer-reviewed

    Kaoru Yamazaki, Takashi Nakamura, Naoyuki Niitsu, Manabu Kanno, Kiyoshi Ueda, Hirohiko Kono

    JOURNAL OF CHEMICAL PHYSICS　141　(12)　121105　2014/09

    DOI： 10.1063/1.4896656 　

    ISSN： 0021-9606

    eISSN： 1089-7690

  26. Two-step explosion dynamics of highly charged fullerene cations C60q+ (q = 20-60)

    Kaoru Yamazaki, Takashi Nakamura, Naoyuki Niitsu, Manabu Kanno, Kiyoshi Ueda, Hirohiko Kono

    Optics InfoBase Conference Papers　2014

    Publisher: Optical Society of America (OSA)

    DOI： 10.1364/up.2014.07.mon.p1.21 　

    ISSN： 2162-2701

  27. Ab Initio quantum dynamical study on ultrafast Nonradiative transition pathways of pyrazine

    Manabu Kanno, Yuta Ito, Noriyuki Shimakura, Shiro Koseki, Hirohiko Kono, Yuichi Fujimura

    Optics InfoBase Conference Papers　2014

    Publisher: Optical Society of America (OSA)

    DOI： 10.1364/up.2014.07.mon.p1.25 　

    ISSN： 2162-2701

  28. Electronic Excited State Paths of Stone-Wales Rearrangement in Pyrene: Roles of Conical Intersections Invited Peer-reviewed

    Kaoru Yamazaki, Naoyuki Niitsu, Kosuke Nakamura, Manabu Kanno, Hirohiko Kono

    JOURNAL OF PHYSICAL CHEMISTRY A　116　(46)　11441-11450　2012/11

    DOI： 10.1021/jp306894x 　

    ISSN： 1089-5639

  29. Theoretical Investigation of the Structures and Dynamics of Crystalline Molecular Gyroscopes Peer-reviewed

    Anant Babu Marahatta, Manabu Kanno, Kunihito Hoki, Wataru Setaka, Stephan Irle, Hirohiko Kono

    JOURNAL OF PHYSICAL CHEMISTRY C　116　(46)　24845-24854　2012/11

    DOI： 10.1021/jp308974j 　

    ISSN： 1932-7447

  30. Laser-Polarization Effects on Coherent Vibronic Excitation of Molecules with Quasi-Degenerate Electronic States Invited Peer-reviewed

    Manabu Kanno, Yukari Ono, Hirohiko Kono, Yuichi Fujimura

    JOURNAL OF PHYSICAL CHEMISTRY A　116　(46)　11260-11272　2012/11

    DOI： 10.1021/jp305284w 　

    ISSN： 1089-5639

  31. Nanosecond simulations of the dynamics of C-60 excited by intense near-infrared laser pulses: Impulsive Raman excitation, rearrangement, and fragmentation Peer-reviewed

    Naoyuki Niitsu, Miyu Kikuchi, Hayato Ikeda, Kaoru Yamazaki, Manabu Kanno, Hirohiko Kono, Koichiro Mitsuke, Mikito Toda, Katsunori Nakai

    JOURNAL OF CHEMICAL PHYSICS　136　(16)　164304　2012/04

    DOI： 10.1063/1.4704896 　

    ISSN： 0021-9606

  32. Theoretical Verification of Nonthermal Microwave Effects on Intramolecular Reactions Peer-reviewed

    Manabu Kanno, Kosuke Nakamura, Eri Kanai, Kunihito Hoki, Hirohiko Kono, Motohiko Tanaka

    JOURNAL OF PHYSICAL CHEMISTRY A　116　(9)　2177-2183　2012/03

    DOI： 10.1021/jp212460v 　

    ISSN： 1089-5639

  33. Ultrafast coherent dynamics of nonadiabatically coupled quasi-degenerate excited states in molecules: Population and vibrational coherence transfers Peer-reviewed

    H. Mineo, M. Kanno, H. Kono, S. D. Chao, S. H. Lin, Y. Fujimura

    CHEMICAL PHYSICS　392　(1)　136-142　2012/01

    DOI： 10.1016/j.chemphys.2011.11.004 　

    ISSN： 0301-0104

  34. Nonadiabatic Response Model of Laser-Induced Ultrafast pi-Electron Rotations in Chiral Aromatic Molecules Peer-reviewed

    Manabu Kanno, Hirohiko Kono, Yuichi Fujimura, Sheng H. Lin

    PHYSICAL REVIEW LETTERS　104　(10)　108302　2010/03

    DOI： 10.1103/PhysRevLett.104.108302 　

    ISSN： 0031-9007

  35. Ionization of H-2(+) and H-2 in intense laser fields: Excited state dynamics Invited Peer-reviewed

    T. Kato, H. Kono, M. Kanno, Y. Fujimura, K. Yamanouchi

    LASER PHYSICS　19　(8)　1712-1722　2009/08

    DOI： 10.1134/S1054660X09150249 　

    ISSN： 1054-660X

  36. Quantum optimal control of electron ring currents in chiral aromatic molecules Peer-reviewed

    Manabu Kanno, Kunihito Hoki, Hirohiko Kono, Yuichi Fujimura

    JOURNAL OF CHEMICAL PHYSICS　127　(20)　204314　2007/11

    DOI： 10.1063/1.2806180 　

    ISSN： 0021-9606

  37. Control of pi-electron rotation in chiral aromatic molecules by nonhelical laser pulses Peer-reviewed

    Manabu Kanno, Hirohiko Kono, Yuichi Fujimura

    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION　45　(47)　7995-7998　2006

    DOI： 10.1002/anie.200602479 　

    ISSN： 1433-7851

  38. Incorporation of a wave-packet propagation method into the S-matrix framework: Investigation of the effects of excited state dynamics on intense-field ionization Peer-reviewed

    M Kanno, T Kato, H Kono, Y Fujimura, FHM Faisal

    PHYSICAL REVIEW A　72　(3)　033418　2005/09

    DOI： 10.1103/PhysRevA.72.033418 　

    ISSN： 1050-2947

Show all ︎Show first 5

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  1. 非断熱分子動力学法の分子会合体への適用：CO2二量体カチオンの光解離反応シミュレーション

    前田憲哲, 菅野 学, 花崎浩太, 中島祐司, 伊藤悠吏, 奥津賢一, 中野元善, 大下慶次郎, 美齊津文典, 河野裕彦

    東北大学サイバーサイエンスセンター 大規模科学計算システム広報（SENAC）　53　(2)　1-9　2020/04

  2. ナノ・バイオ分子の光化学反応における非断熱励起状態ダイナミクス

    河野裕彦, 菅野 学, 岡田朝彦, 落合宏平, 鈴木和磨

    計算科学研究センターレポート　19　(2)　193-196　2019/09

  3. 複雑系に有効な非断熱分子動力学計算法の開発と分子モーター光異性化反応への適用

    菅野 学, 高橋みなみ, 花崎浩太, 原田宣之, 河野裕彦

    東北大学サイバーサイエンスセンター 大規模科学計算システム広報（SENAC）　52　(1)　3-13　2019/01

  4. Laser-Control of Ultrafast π-Electron Ring Currents in Aromatic Molecules: Roles of Molecular Symmetry and Light Polarization Invited Peer-reviewed

    Manabu Kanno, Hirohiko Kono, Yuichi Fujimura

    Applied Sciences　8　(12)　2347　2018/12

    DOI： 10.3390/app8122347 　

  5. XFELによる内殻イオン化と超高速電子・エネルギー移動の動力学理論

    河野裕彦, 菅野 学, 中村公亮, 花崎浩太, 及川啓太, 岡田朝彦, 落合宏平

    計算科学研究センターレポート　18　(2)　185-188　2018/09

  6. X線自由電子レーザーによる分子の超高速崩壊のシミュレーションモデル

    中村公亮, 落合宏平, 花崎浩太, 菅野 学, 山崎 馨, 高梨 司, 福澤宏宣, 上田 潔, 永谷清信, 河野裕彦

    東北大学サイバーサイエンスセンター 大規模科学計算システム広報（SENAC）　51　(1)　3-13　2018/01

  7. DFTB法のナノ・バイオ分子動力学への応用 Invited

    菅野 学, 花崎浩太, 山崎 馨, Thomas A. Niehaus, 河野裕彦

    分子シミュレーション研究会会誌 アンサンブル　20　(1)　24-32　2018/01

  8. 自在回転部位を有するナノ複合分子の構造と動力学

    河野裕彦, 菅野 学, 中村公亮, 菱沼直樹, 及川啓太, Wilfredo Credo Chung, 花崎浩太

    計算科学研究センターレポート　17　(2)　191-194　2017/10

  9. 結晶性分子マシンの光駆動回転シミュレーション Invited

    菅野 学, 河野裕彦

    分子マシンの科学―分子の動きとその機能を見る　26　133-139　2017/08

    Publisher: 化学同人

  10. DNA鎖切断の反応動力学シミュレーションとAVS/Expressを用いた三次元可視化

    菱沼直樹, 及川啓太, 岡田朝彦, 菅野 学, 山崎 馨, Wilfredo Credo Chung, 齋藤敦子, 河野裕彦

    東北大学サイバーサイエンスセンター 大規模科学計算システム広報（SENAC）　50　(1)　3-12　2017/01

    Publisher: 東北大学サイバーサイエンスセンター

  11. 芳香族分子の光誘起環電流と骨格振動の結合：レーザーの偏光がもたらす量子効果 Invited

    菅野 学

    分子シミュレーション研究会会誌 アンサンブル　18　(4)　220-223　2016/10

    Publisher: 分子シミュレーション研究会

    DOI： 10.11436/mssj.18.220 　

    ISSN： 1884-6750

  12. ナノカーボンの転位・解離反応の動力学理論：ナノ分子・生体分子の反応動力学イメージングを目指して

    河野裕彦, 山崎 馨, 菅野 学

    計算科学研究センターレポート　16　(2)　191-194　2016/08

  13. アト秒レーザーが拓く分子の超高速電子ダイナミクス Invited

    菅野 学

    化学と工業　69　(3)　222-223　2016/03

    Publisher: 日本化学会

  14. 結晶性分子ジャイロスコープの構造と回転動力学の密度汎関数強束縛法によるシミュレーション

    菅野 学, 小林倫仁, Wilfredo Credo Chung, 山崎 馨, 瀬高 渉, 河野裕彦

    東北大学サイバーサイエンスセンター 大規模科学計算システム広報（SENAC）　48　(4)　1-9　2015/10

    Publisher: 東北大学サイバーサイエンスセンター

  15. ナノカーボンにおける光誘起解離反応の動力学シミュレーション

    河野裕彦, 山崎 馨, 菅野 学

    計算科学研究センターレポート　15　(2)　208-211　2015/08

  16. Ab Initio Quantum Dynamical Study on Ultrafast Nonradiative Transition Pathways of Pyrazine

    Manabu Kanno, Yuta Ito, Noriyuki Shimakura, Shiro Koseki, Hirohiko Kono, Yuichi Fujimura

    ULTRAFAST PHENOMENA XIX　162　176-179　2015

    DOI： 10.1007/978-3-319-13242-6_42 　

    ISSN： 0930-8989

  17. 化学反応における電磁場励起効果の計算化学 Invited Peer-reviewed

    菅野 学, 池田旭伸, 河野裕彦

    最新 マイクロ波エネルギーと応用技術　83-87　2014/11

    Publisher: 産業技術サービスセンター

  18. フラーレン超多価カチオンC60q+ (q = 20−60)の2段階爆発機構とナノカーボン製分子ベアリングの回転動力学

    河野裕彦, 山崎 馨, 池田旭伸, 菅野 学

    計算科学研究センターレポート　14　(2)　270-273　2014/08

  19. Nonadiabatically Coupled pi-Electron Rotation and Molecular Vibration in Aromatic Molecules Excited by Polarized UV/Vis Laser Pulses Invited

    Manabu Kanno, Yukari Ono, Hirohiko Kono, Yuichi Fujimura

    CHINESE JOURNAL OF PHYSICS　52　(1)　617-651　2014/02

    DOI： 10.6122/CJP.52.617 　

    ISSN： 0577-9073

  20. ナノカーボンの光誘起転位・解離反応の動力学シミュレーション

    河野裕彦, 山崎 馨, 中村尭祉, 菅野 学

    計算科学研究センターレポート　13　(2)　15-16　2013/08

  21. Coherent ring currents in chiral aromatic molecules induced by linearly polarized UV laser pulses

    Manabu Kanno, Hirohiko Kono, Hirobumi Mineo, Sheng Hsien Lin, Yuichi Fujimura

    MATERIALS AND APPLICATIONS FOR SENSORS AND TRANSDUCERS II　543　381-+　2013

    DOI： 10.4028/www.scientific.net/KEM.543.381 　

    ISSN： 1013-9826

  22. Laser-Induced Electronic and Nuclear Coherent Motions in Chiral Aromatic Molecules Invited

    Manabu Kanno, Hirohiko Kono, Sheng H. Lin, Yuichi Fujimura

    Quantum Systems in Chemistry and Physics: Progress in Methods and Applications　121-148　2012/12

    Publisher: Springer

  23. Simulation of Nuclear Dynamics of C60: From Vibrational Excitation by Near-IR Femtosecond Laser Pulses to Subsequent Nanosecond Rearrangement and Fragmentation Invited

    Naoyuki Niitsu, Miyu Kikuchi, Hayato Ikeda, Kaoru Yamazaki, Manabu Kanno, Hirohiko Kono, Koichiro Mitsuke, Mikito Toda, Katsunori Nakai, Stephan Irle

    Quantum Systems in Chemistry and Physics: Progress in Methods and Applications　149-177　2012/12

    Publisher: Springer

    DOI： 10.1007/978-94-007-5297-9_7 　

    ISSN： 1567-7354

  24. 光によって引き起こされる化学反応の量子力学に基づく理論解析 ― 非断熱遷移を引き起こす円錐交差の取り扱いについて ―

    山崎 馨, 菅野 学, 河野裕彦

    東北大学サイバーサイエンスセンター 大規模科学計算システム広報（SENAC）　45　(4)　1-9　2012/10

    Publisher: 東北大学サイバーサイエンスセンター

  25. ナノカーボンの光誘起転移・解離反応制御のシミュレーション

    河野裕彦, 山崎 馨, 新津直幸, 菅野 学

    計算科学研究センターレポート　12　(2)　14-17　2012/08

  26. 化学反応に及ぼすマイクロ波効果の理論的考察

    河野裕彦, 菅野 学

    マイクロ波励起・高温非平衡反応場の科学 ―マイクロ波エネルギーの基礎と新しい応用―　75-79　2012/03

    Publisher: 自然科学研究機構核融合科学研究所

  27. Control of π-Electron Rotations in Chiral Aromatic Molecules Using Intense Laser Pulses Invited

    Manabu Kanno, Hirohiko Kono, Yuichi Fujimura

    Progress in Ultrafast Intense Laser Science　7　53-78　2011/05

    Publisher: Springer

  28. Wavepacket Dynamics of Molecules in Intense Laser Fields Invited

    Hirohiko Kono, Katsunori Nakai, Manabu Kanno, Yukio Sato, Shiro Koseki, Tsuyoshi Kato, Yuichi Fujimura

    Progress in Ultrafast Intense Laser Science　4　41-66　2009

    Publisher: Springer

    DOI： 10.1007/978-3-540-69143-3_3 　

    ISSN： 0172-6218

  29. Theoretical Investigations of the Electronic and Nuclear Dynamics of Molecules in Intense Laser Fields: Quantum Mechanical Wave Packet Approaches Invited Peer-reviewed

    Hirohiko Kono, Yukio Sato, Manabu Kanno, Katsunori Nakai, Tsuyoshi Kato

    Bulletin of the Chemical Society of Japan　79　(2)　196-227　2006/02/01

    Publisher: Oxford University Press (OUP)

    DOI： 10.1246/bcsj.79.196 　

    ISSN： 0009-2673

    eISSN： 1348-0634

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    Abstract We have developed a method for describing the reaction dynamics of a polyatomic molecule in intense laser fields. First, the dynamical behavior of H2+ and H2 in near-infrared, intense laser fields (I > 1013 W cm−2 and λ > 700 nm) was examined; accurate evaluation of the electronic and nuclear wave packet was achieved by the dual transformation method that we developed. Using “field-following” time-dependent adiabatic states defined as eigenfunctions of the “instantaneous” electronic Hamiltonian, we have clarified the dynamics of bound electrons, ionization processes, Coulomb explosion processes, and molecular vibrations of H2+ and H2. The analyses indicate that the multielectron dynamics and nuclear dynamics of polyatomic molecules in intense fields can be described by using the potential surfaces of time-dependent adiabatic states and the nonadiabatic coupling elements between those states. To obtain time-dependent adiabatic states of a molecule, one can diagonalize the electronic Hamiltonian including the interaction with the instantaneous laser electric field by ab initio molecular orbital (MO) methods. The time-dependent adiabatic potentials obtained are used to evaluate the multichannel nuclear dynamics until the next ionization process. We have applied the time-dependent adiabatic state approach to reveal the characteristic features of the dynamics of structural deformations of CO2 and its cations in a near-infrared intense laser field. The experimentally observed stretched and bent structure of CO23+ just before Coulomb explosions originates from the structural deformation of CO22+. We also revealed the mechanism of the experimentally observed bond dissociation of C2H5OH; we found that the relative probability of C–O bond cleavage to that of C–C bond cleavage becomes smaller with decreases in the pulse length. This example clearly shows that field-induced nonadiabatic transitions play a decisive role in the reaction dynamics of molecules in an intense laser field.

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Presentations 63

  1. ポリヒドロキシフラーレンからグラフェンフレークへの近赤外光誘起転換反応

    菅野 学

    IQCE量子化学探索講演会2024「量子化学で探る化学の最先端」　2024/11

  2. Electronic and Reaction Dynamics of Near-Infrared-Induced Conversion from Polyhydroxy Fullerenes to Graphene Flakes International-presentation Invited

    Manabu Kanno

    17th Quantum Reactive Scattering Workshop　2024/06

  3. Near-Infrared-Induced Conversion from Polyhydroxy Fullerenes to Graphene Flakes as a Seed for Carbon Nanotubes International-presentation

    Manabu Kanno, Mahiro Honkai, Akinobu Ikeda, Kazusa Hojo, Fuminori Misaizu, Hirohiko Kono

    The 8th Japan-Czech-Slovakia International Symposium on Theoretical Chemistry　2024/06

  4. Efficient Wave Packet Expansions in Terms of Gaussians for Quantum Reaction Dynamics International-presentation Invited

    Manabu Kanno, Kazuma Suzuki, Hirohiko Kono

    Structure and Dynamics: Spectroscopy and Scattering　2023/10

  5. A structure-based Gaussian expansion for quantum reaction dynamics: Application to hydrogen tunneling in malonaldehyde International-presentation

    Manabu Kanno, Kazuma Suzuki, Hirohiko Kono

    The 5th Conference of Theory and Applications of Computational Chemistry　2023/09

  6. 構造ベースガウス基底展開法 ―反応経路に沿った分子波動関数の効率的展開―

    菅野 学

    IQCE量子化学探索講演会2022 「量子化学で探る化学の最先端」　2023/01

  7. Quantum molecular dynamics simulations for tunneling and nonadiabatic transition International-presentation Invited

    Manabu Kanno, Kazuma Suzuki, Toshiaki Maeda, Benoît Mignolet, Françoise Remacle, Hirohiko Kono, Yuichi Fujimura

    The International Chemical Congress of Pacific Basin Societies 2021 (PACIFICHEM 2021)　2021/12

  8. Exploring internal conversion and reaction pathways of molecules by nonadiabatic dynamics simulations Invited

    Manabu Kanno

    令和3年度化学系学協会東北大会　2021/10

  9. 二酸化炭素二量体カチオン(CO2)2+の非断熱光解離動力学シミュレーション

    菅野 学, 前田憲哲, 中島祐司, 美齊津文典, 河野裕彦

    第15回分子科学討論会　2021/09

  10. Ultrafast internal conversion pathways in π-conjugated systems: Simulations of nuclear wave packet dynamics and photoelectron spectrum International-presentation Invited

    Manabu Kanno

    The 23rd East Asian Workshop on Chemical Dynamics　2019/09

  11. Automatic spatial extension of a time-dependent wavefunction expanded in terms of Gaussians International-presentation Invited

    Manabu Kanno, Kazuma Suzuki, Yuta Arai, Hirohiko Kono

    XV International Workshop on Quantum Reactive Scattering　2019/07

  12. 複雑系に有効なsurface hopping法の開発と光駆動分子モーターへの適用

    菅野 学, 高橋みなみ, 花崎浩太, 原田宣之, 河野裕彦

    第12回分子科学討論会　2018/09

  13. 分子モーター光異性化反応の非断熱動力学シミュレーション

    菅野 学, 高橋みなみ, 花崎浩太, 原田宣之, 河野裕彦

    第15回原子・分子・光科学（AMO）討論会　2018/06

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    ポスター発表賞 受賞

  14. Ab initio quantum dynamical analysis of time-resolved photoelectron spectrum to identify ultrafast internal conversion pathways of pyrazine International-presentation

    Manabu Kanno, Benoît Mignolet, Françoise Remacle, Noriyuki Shimakura, Shiro Koseki, Hirohiko Kono, Yuichi Fujimura

    The 7th Japan-Czech-Slovakia International Symposium on Theoretical Chemistry　2018/05

  15. 光励起ピラジンの超高速無輻射失活過程：核波束動力学と光電子スペクトル計算による解析

    菅野 学, Benoît Mignolet, Françoise Remacle, 島倉紀之, 小関史朗, 河野裕彦, 藤村勇一

    第21回理論化学討論会　2018/05

  16. Laser control of ultrafast π-electron ring currents in aromatic molecules: Roles of molecular symmetry International-presentation Invited

    Manabu Kanno

    Physical Chemistry Colloquium 2017　2017/09

  17. Single-active-electron analysis of laser-polarization effects on atomic/molecular multiphoton excitation International-presentation Invited

    Manabu Kanno, Nobuyoshi Inada, Hirohiko Kono

    The 77th Okazaki Conference Series: International Symposium on Ultrafast Dynamics in Molecular and Material Sciences　2017/03

  18. Ultrafast electron dynamics in nonadiabatic transitions: Correlation between the spatial change and energy exchange in time-dependent molecular orbitals International-presentation

    Manabu Kanno, Yusuke Sato, Shu Ohmura, Hirohiko Kono, Shiro Koseki, Noriyuki Shimakura, Yuichi Fujimura

    Ultrafast Imaging of Photochemical Dynamics: Faraday Discussion　2016/08

  19. DNA鎖切断の化学反応動力学シミュレーション

    菱沼直樹, 石母田和樹, 及川啓太, 菅野 学, 木野康志, 秋山公男, 河野裕彦

    第19回理論化学討論会　2016/05

  20. 擬交差領域を通過する化学反応における電子ダイナミクスのエネルギー解析

    菅野 学

    理論分子科学・分子非線形科学のこれまでとこれから　2016/03

  21. Laser-polarization dependence of atomic/molecular multiphoton excitation within a single-active-electron model of spherical symmetry International-presentation

    Manabu Kanno, Nobuyoshi Inada, Hirohiko Kono

    The International Chemical Congress of Pacific Basin Societies 2015 (PACIFICHEM 2015)　2015/12

  22. THz-Driven Internal Rotation in Crystalline Molecular Gyroscopes: Density-Functional-Based Tight-Binding Simulation International-presentation Invited

    Manabu Kanno, Tomoya Michimata, Tomohito Kobayashi, Wilfredo Credo Chung, Wataru Setaka, Hirohiko Kono

    International Workshop on Photo-induced Molecular Functioning　2015/11

  23. 原子・分子の多光子吸収過程の偏光依存性 ―球対称モデルに基づく動力学的解析―

    稲田裕允, 菅野 学, 河野裕彦

    第9回分子科学討論会　2015/09

  24. 芳香族分子の光誘起環電流と骨格振動の結合：レーザーの偏光がもたらす量子効果 Invited

    菅野 学

    研究会「非断熱量子動力学とその周辺」　2015/09

  25. フッ素置換回転子を持つ結晶性分子ジャイロスコープのテラヘルツ波駆動ダイナミクス

    道股知也, 小林倫仁, Wilfredo Credo Chung, 菅野 学, 瀬高 渉, 河野裕彦

    第18回理論化学討論会　2015/05

  26. ピラジンの超高速無輻射失活過程における光学禁制nπ*励起状態の寄与

    菅野 学, 河野裕彦, 小関史朗, 島倉紀之, 藤村勇一

    日本化学会第95春期年会　2015/03

  27. フェムト秒パルス光励起ピラジンの超高速無輻射過程：核波束動力学解析

    菅野 学, 河野裕彦, 小関史朗, 島倉紀之, 藤村勇一

    2014年光化学討論会　2014/10

  28. ポリヒドロキシフラーレンからカーボンナノフレークへの超高速転換 ―密度汎関数法および密度汎関数強束縛法による理論計算―

    池田旭伸, 菅野 学, Wilfredo Credo Chung, 時子山宏明, 山門英雄, 大野公一, Stephan Irle, 河野裕彦

    第8回分子科学討論会　2014/09

  29. Ab Initio Quantum Dynamical Study on Ultrafast Nonradiative Transition Pathways of Pyrazine International-presentation

    Manabu Kanno, Yuta Ito, Noriyuki Shimakura, Shiro Koseki, Hirohiko Kono, Yuichi Fujimura

    19th International Conference on Ultrafast Phenomena　2014/07

  30. フッ素置換回転子を持つ結晶性分子ジャイロスコープの構造と動力学

    小林倫仁, 池田嘉寿人, Anant Babu Marahatta, 菅野 学, 瀬高 渉, 河野裕彦

    第17回理論化学討論会　2014/05

  31. Laser-Polarization Effects on Coherent Vibronic Excitation of Molecules with Quasi-Degenerate Electronic States International-presentation Invited

    Manabu Kanno, Yukari Ono, Hirohiko Kono, Yuichi Fujimura

    The 5th Japan-Czech-Slovakia International Symposium on Theoretical Chemistry　2013/12

  32. ピラジンの超高速電子緩和過程に関するAb initio量子動力学的研究

    菅野 学, 島倉紀之, 伊藤悠太, 小関史朗, 河野裕彦, 藤村勇一

    第6回分子科学討論会　2012/09

  33. 電子環状反応における置換基効果 ―Ab initio 動力学と光電子脱離スペクトルの理論計算―

    中村公亮, 菅野 学, 河野裕彦

    第6回分子科学討論会　2012/09

  34. 擬縮退状態を持つ分子の光による非断熱ダイナミクス制御 Invited

    菅野 学, 小野由香莉, 河野裕彦, 藤村勇一

    2011年度物理化学コロキウム　2011/09

  35. マイクロ波が分子内反応に及ぼす非熱的効果の理論的検証

    菅野 学, 中村公亮, 金井恵里, 保木邦仁, 河野裕彦, 田中基彦

    第5回分子科学討論会　2011/09

  36. 擬縮退状態を持つ分子の振電励起に対する偏光効果 Invited

    菅野 学

    第一原理計算科学の最前線　2011/09

  37. 擬縮退状態を持つ分子の光による振電励起制御

    菅野 学, 小野由香莉, 河野裕彦, 藤村勇一

    第14回理論化学討論会　2011/05

  38. 光励起された分子の非断熱振動ダイナミクスの偏光依存性

    小野由香莉, 菅野 学, 河野裕彦, 藤村勇一

    日本化学会第91春期年会　2011/03

  39. Non-Born-Oppenheimer electron wave packet dynamics in the elementary ionization process of molecules in intense laser fields International-presentation

    Manabu Kanno, Kazuo Takatsuka

    The International Chemical Congress of Pacific Basin Societies 2010 (PACIFICHEM 2010)　2010/12

  40. Nonadiabatic Response Model of Laser-Induced Ultrafast π-Electron Rotations in Chiral Aromatic Molecules International-presentation

    Manabu Kanno, Hirohiko Kono, Yuichi Fujimura, Sheng H. Lin

    9th Asian International Seminar on Atomic and Molecular Physics (AISAMP 9)　2010/10

  41. キラル芳香族分子における超高速π電子回転の光制御と非断熱振動ダイナミクス

    菅野 学, 河野裕彦, 藤村勇一

    第12回理論化学討論会　2009/05

  42. 直線偏光レーザーパルス励起キラル芳香族分子の環電流制御と非断熱核波束ダイナミクス

    菅野 学, 河野裕彦, 藤村勇一

    日本化学会第89春期年会　2009/03

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    学生講演賞 受賞

  43. キラル芳香族分子の光誘起π電子回転と非断熱核波束ダイナミクス

    菅野 学, 河野裕彦, 藤村勇一

    特定領域研究「実在系の分子理論」若手研究者勉強会　2008/11

  44. キラル芳香族分子における光誘起π電子回転と結合した核ダイナミクス

    菅野 学, 河野裕彦, 藤村勇一

    第2回分子科学討論会　2008/09

  45. キラリティーを利用した分子内電子ダイナミクスの光量子制御シミュレーションとモデル解析

    菅野 学, 保木邦仁, 河野裕彦, 藤村勇一

    日本化学会第88春季年会　2008/03

  46. Laser-Control Simulation and Model Analysis of π-Electron Rotation in Chiral Aromatic Molecules International-presentation

    Manabu Kanno, Kunihito Hoki, Hirohiko Kono, Yuichi Fujimura

    The 1st International Symposium “International Center of Research & Education for Molecular Complex Chemistry”　2008/03

  47. Optimal Laser-Control Simulation and Model Analysis of Intramolecular Electron Dynamics Arising from Molecular Chirality International-presentation

    Manabu Kanno, Kunihito Hoki, Hirohiko Kono, Yuichi Fujimura

    COAST/CORAL Winter School on Advanced Laser Science　2008/01

  48. 直線偏光レーザーを用いたキラル芳香族分子の環電流最適制御シミュレーション

    菅野 学, 保木邦仁, 河野裕彦, 藤村勇一

    平成19年度化学系学協会東北大会　2007/09

  49. キラル芳香族分子におけるπ電子回転の量子最適制御とモデル解析

    菅野 学, 保木邦仁, 河野裕彦, 藤村勇一

    第1回分子科学討論会　2007/09

  50. Laser-Induced Circulation of π Electrons in Chiral Aromatic Molecules Studied by Optimal Control Simulation International-presentation

    Manabu Kanno, Kunihito Hoki, Hirohiko Kono, Yuichi Fujimura

    ASIA SCIENCE FORUM　2007/09

  51. Investigation of Excitation Mechanisms in Optimal Control of π-Electron Rotation in Chiral Aromatic Molecules International-presentation

    Manabu Kanno, Kunihito Hoki, Hirohiko Kono, Yuichi Fujimura

    Attosecond Physics　2007/08

  52. Optimal Control of Electron Ring Currents in Chiral Aromatic Molecules International-presentation

    Manabu Kanno, Hirohiko Kono, Yuichi Fujimura

    International Symposium on Molecular Science of Ultrafast Electronic Dynamics　2007/05

  53. 直線偏光レーザーパルスによるキラル芳香族分子の環電流制御

    菅野 学, 河野裕彦, 藤村勇一

    日本化学会第87春季年会　2007/03

  54. A new S-matrix formalism for intense-field ionization: Effects of excited state dynamics International-presentation Invited

    Manabu Kanno, Tsuyoshi Kato, Hirohiko Kono, Yuichi Fujimura, Farhad H. M. Faisal

    International Symposium on Spectroscopy, Reaction Dynamics and Manipulation of Atoms and Molecules　2007/02

  55. Theoretical study of ultrafast electronic dynamics induced by intense laser fields International-presentation

    Manabu Kanno, Tsuyoshi Kato, Hirohiko Kono, Farhad H. M. Faisal, Yuichi Fujimura

    International Wilhelm and Else Heraeus Summerschool: Few body dynamics in atomic and molecular systems　2006/09

  56. Rotation of π electrons in an aromatic molecule induced by a linearly polarized laser pulse International-presentation

    Manabu Kanno, Kunihito Hoki, Hirohiko Kono, Yuichi Fujimura

    International Congress of Quantum Chemistry 2006 Satellite Symposium in Sendai　2006/05

  57. 強レーザー場誘起超高速電子ダイナミクスの理論的研究

    菅野 学, 保木邦仁, 河野裕彦, 藤村勇一

    21世紀COEプログラム「大分子複雑系未踏化学」若手シンポジウム　2006/02

  58. A new theoretical method of combining the S-matrix theory and the wave packet approach: Application to intense-field ionization International-presentation

    Manabu Kanno, Tsuyoshi Kato, Hirohiko Kono, Farhad H. M. Faisal, Yuichi Fujimura

    10th International Conference on Multiphoton Processes　2005/10

  59. S行列理論と波束計算法の融合 －強レーザー場誘起イオン化への適用－

    菅野 学, 加藤 毅, 河野裕彦, Farhad H. M. Faisal, 藤村勇一

    平成17年度化学系学協会東北大会　2005/09

  60. S行列理論と波束計算法の融合 －強レーザー場誘起イオン化への適用－

    菅野 学, 加藤 毅, 河野裕彦, Farhad H. M. Faisal, 藤村勇一

    分子構造総合討論会2005　2005/09

  61. 強レーザー場によるイオン化の光電子スペクトルの理論計算 －分子内電子ダイナミクスの効果－

    菅野 学, 加藤 毅, 河野裕彦, Farhad H. M. Faisal, 藤村勇一

    分子構造総合討論会2004　2004/09

  62. Theoretical calculation of photoelectron spectrum of molecules in intense laser fields: Effects of intramolecular electronic dynamics International-presentation

    Manabu Kanno, Tsuyoshi Kato, Hirohiko Kono, Farhad H. M. Faisal, Yuichi Fujimura

    Physical Chemistry Colloquium on Ultrafast and Intense-Field Phenomena　2004/08

  63. レーザー誘起電子波束ダイナミクスの理論的研究

    菅野 学, 加藤 毅, 河野裕彦, 藤村勇一

    日本化学会第84春季年会　2004/03

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Research Projects 14

  1. Incorporation of chemical reaction path exploration into quantum wave-packet dynamics: Elucidation of quantum effects in nucleic acid mutations

    KANNO Manabu

    Offer Organization: Japan Society for the Promotion of Science

    System: Grant-in-Aid for Scientific Research

    2024/04 - 2028/03

  2. Rapid growth simulation from functionalized fullerenes to carbon nanotubes Competitive

    KANNO Manabu

    Offer Organization: Institute for Quantum Chemical Exploration

    System: Research Grants-in-Aid

    2023/10 - 2025/09

  3. Photochemical reaction dynamics of nano- and bio-molecules: Elucidation by nonadiabatic dynamics simulations Competitive

    KANNO Manabu

    Offer Organization: Graduate School of Science, Tohoku University

    System: Encouragement Program for Research Step-up

    2023/04 - 2024/03

  4. Incorporation of chemical reaction path exploration into a Gaussian-basis wave-packet propagation method Competitive

    KANNO Manabu

    Offer Organization: Matsuo Foundation

    System: Matsuo Faoundation Research Grant

    2022/11 - 2024/03

  5. Structure-based Gaussian expansion method: Efficient expansion of molecular wave functions on reaction pathways Competitive

    KANNO Manabu

    Offer Organization: Institute for Quantum Chemical Exploration

    System: Research Grants-in-Aid

    2021/10 - 2023/09

  6. Real-time and real-space simulation of photoinduced functionality in nanoscale molecular solids Competitive

    KANNO Manabu

    Offer Organization: Japan Society for the Promotion of Science

    System: Grant-in-Aid for Scientific Research

    2018/04 - 2023/03

  7. Ultrafast photoinduced molecular dynamics Competitive

    KANNO Manabu

    Offer Organization: Japan Society for the Promotion of Science

    System: Bilateral Joint Research Project

    2019/04 - 2022/03

  8. Control of light-driven fast internal rotation in crystalline molecular gyroscopes: Theoretical design, synthesis, and measurement Competitive

    KANNO Manabu

    Offer Organization: Japan Society for the Promotion of Science

    System: Grant-in-Aid for Scientific Research

    2015/07 - 2018/03

  9. Molecular dynamics of DNA strand breaks induced by tritium transmutation

    Kono Hirohiko, AKIYAMA Kimio, SEKINE Tsutomu, KANNO Manabu

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research

    Category: Grant-in-Aid for Challenging Exploratory Research

    Institution: Tohoku University

    2015/04/01 - 2017/03/31

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    We simulated DNA strand breaks induced through β decays of tritium atoms contained in a DNA by using the density-functional based tight-binding method for electronic structure calculations. The results of simulations were analyzed from the aspect of energy and charge transfer to examine the mechanisms of elementary processes in DNA strand breaks. Charge rearrangement occurs after β decays of tritium, which results in a neutral radical species. We found that after a β decay of a tritium atom bound to the 3' or 5'-carbon in a sugar, a P-O bond of an adjacent phosphate group breaks. This reaction is mediated through energy and charge transfer between the neighboring sugar and phosphate and terminates with a single strand break; a double strand break, difficult to repair, never takes place as long as two tritium atoms happen to be absorbed to two sugars bridged by the same base pair.

  10. Control theory of nonadiabatic electron dynamics in general π-conjugated systems driven by polarized laser pulses Competitive

    KANNO Manabu

    Offer Organization: Japan Society for the Promotion of Science

    System: Grant-in-Aid for Scientific Research

    2014/04 - 2017/03

  11. Investigation of the multielectron dynamics of chemical reactions based on time-dependent molecular orbital picture: Its development and experimental verification

    Kono Hirohiko, HISHIKAWA Akiyosi, KOSEKI Shiro, KATO Tsuyoshi, KANNO Manabu, FUSHITANI Mizuho, Matsuda Akitaka

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research

    Category: Grant-in-Aid for Scientific Research (A)

    Institution: Tohoku University

    2012/04/01 - 2016/03/31

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    We investigated the multielectron dynamics of molecules such as CO and N2 in intense laser fields by using electronic and nuclear wavepacket propagation methods and proposed laser control schemes of the generation of higher order harmonics which is a source of attosecond pulses. We experimentally demonstrated that the two C-O bonds of CO2 can be asymmetrically cleaved by changing the phase between two-color pulses, which provides a new possibility of the laser control of chemical reactions. We also established a method to simulate XFEL-induced Coulomb explosion of molecules for time-resolved molecular imaging．The results of application to iodouracil etc. are in good agreement with the experimental results.

  12. Control theory of nonadiabatic electron dynamics of aromatic molecules induced by ultrashort laser pulses Competitive

    KANNO Manabu

    Offer Organization: Japan Society for the Promotion of Science

    System: Grant-in-Aid for Scientific Research

    Category: Grant-in-Aid for Young Scientists (B)

    Institution: Tohoku University

    2011/04 - 2014/03

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    The control theory of nonadiabatically coupled pi-electron rotation (ring current) and molecular vibration in aromatic molecules irradiated by ultrashort laser pulses has been established. Theoretical and numerical analyses have revealed that it is possible to manipulate the interference between nuclear wave packets created on excited-state potential energy surfaces by a laser pulse of arbitrary polarization. In principle, the angular momentum (magnetic field) of pi electrons circulating along an aromatic ring and the amplitude of molecular vibration can be controlled as desired by means of ultrashort laser pulses. In addition, the frequency spectrum of photo-excited aromatic molecules depends significantly on laser polarization. This finding serves as a basis for rapid identification of molecular chirality.

  13. Elucidation of elementary processes in intense-field molecular ionization by nonadiabatic electron wave packet dynamics Competitive

    KANNO Manabu

    Offer Organization: Japan Society for the Promotion of Science

    System: Grant-in-Aid for Scientific Research

    2009/04 - 2011/03

  14. Development of theoretical evaluation method for intense-field ionization and real-time simulation of ultrafast molecular dynamics Competitive

    KANNO Manabu

    Offer Organization: Japan Society for the Promotion of Science

    System: Grant-in-Aid for Scientific Research

    2006/04 - 2009/03

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