Details of the Researcher

PHOTO

Tomonori Hirano
Section
Graduate School of Science
Job title
Assistant Professor
Degree

  • Ph.D. (Tohoku University)

Research History 3

  • 2022/08 - Present
    Department of Chemistry, Graduate School of Science, Tohoku University　Assistant Professor

  • 2024/03 - 2024/05
    École normale supérieure　Visiting researcher

  • 2020/07 - 2022/07
    Tohoku University　Department of Chemistry, Graduate School of Science　Research Associate

Education 2

  • Tohoku University　Graduate School of Science　Department of Chemistry

    2017/04 - 2020/06

  • Tohoku University　Faculty of Science　Department of Chemistry

    2013/04 - 2017/03

Professional Memberships 5

  • 溶液化学研究会

  • 日本化学会

  • 理論化学会

  • 分子シミュレーション学会

  • 分子科学会

Research Interests 3

  • molecular simulation

  • interface chemistry

  • computational chemistry

Awards 5

  1. BCSJ Award for Oral Presentation

    2025/10　Development of Theory for Electric Quadrupole and Magnetic Dipole in Sum Frequency Generation and Effects on Measured Spectra

  2. 第19回分子科学討論会 分子科学会優秀講演賞

    2025/10　分子科学会　和周波発生分光における電気四重極・磁気双極子の理論開発と実測スペクトルへの影響

  3. 第13回分子科学討論会 分子科学会優秀講演賞

    2019/10　分子科学会　分子動力学シミュレーションによる油水界面電子移動の反応経路解析

  4. 第12回分子科学討論会 分子科学会優秀ポスター賞

    2018/10　分子科学会　油水界面における電子移動反応機構の多次元自由エネルギー計算による理論的解析

  5. 第11回東北大学化学系サマースクール 優秀ポスター賞

    2018/08　Theoretical Analysis on Mechanism of Electron Transfer at Oil/Water Interfaces by Multidimensional Free Energy Calculations

Papers 19

  1. Extended overlap distribution method for computation of difference spectroscopy

    Koyo Suzuki, Tomonori Hirano, Akihiro Morita

    The Journal of Chemical Physics　2026/05/14

    DOI： 10.1063/5.0327007 　

  2. Quadrupole susceptibility automatic calculator in sum frequency generation spectroscopy incorporating magnetic contributions and refined local fields Peer-reviewed

    Tomonori Hirano, Akihiro Morita

    The Journal of Chemical Physics　2026/03/28

    DOI： 10.1063/5.0314776 　

  3. Tip-enhanced sum frequency generation spectroscopy using temporally asymmetric pulse for detecting weak vibrational signals Peer-reviewed

    Atsunori Sakurai, Shota Takahashi, Tatsuto Mochizuki, Tomonori Hirano, Akihiro Morita, Toshiki Sugimoto

    The Journal of Chemical Physics　2026/02/21

    DOI： 10.1063/5.0310824 　

  4. Tip-Enhanced Sum-Frequency Vibrational Nanoscopy beyond the Diffraction Limit Peer-reviewed

    Shota Takahashi, Koichi Kumagai, Atsunori Sakurai, Tatsuto Mochizuki, Tomonori Hirano, Akihiro Morita, Toshiki Sugimoto

    The Journal of Physical Chemistry C　2026/01/08

    DOI： 10.1021/acs.jpcc.5c05411 　

  5. Free-Energy Analysis for Facilitated Ion Transfer of Multivalent Ions at the Liquid–Liquid Interface Peer-reviewed

    Kaito Naka, Teppei Kamimura, Tomonori Hirano, Akihiro Morita

    The Journal of Physical Chemistry B　2025/06/12

    DOI： 10.1021/acs.jpcb.5c01767 　

  6. Microscopic roles of hydration on interfacial ion transfer after water finger break Peer-reviewed

    Teppei Kamimura, Tomonori Hirano, Akihiro Morita

    The Journal of Chemical Physics　2025/04/07

    DOI： 10.1063/5.0260938 　

  7. Gas–Liquid Interface of Aqueous Solutions of Surface Active Aromatic Molecules Studied Using Extreme Ultraviolet Laser Photoelectron Spectroscopy and Molecular Dynamics Simulation Peer-reviewed

    Yo-ichi Yamamoto, Tomonori Hirano, Tatsuya Ishiyama, Akihiro Morita, Toshinori Suzuki

    Journal of the American Chemical Society　2025/01/21

    Publisher: American Chemical Society (ACS)

    DOI： 10.1021/jacs.4c12310 　

    ISSN： 0002-7863

    eISSN： 1520-5126

  8. Local field effects of quadrupole contributions on sum frequency generation spectroscopy Peer-reviewed

    Tomonori Hirano, Akihiro Morita

    The Journal of Chemical Physics　161　(24)　2024/12/28

    Publisher: AIP Publishing

    DOI： 10.1063/5.0235557 　

    ISSN： 0021-9606

    eISSN： 1089-7690

    More details Close

    In the theory of condensed-phase spectroscopy, local field effect is of general importance to account for intermolecular electrostatic interactions. The present paper extends the microscopic treatment of local field effects on the sum frequency generation (SFG) spectroscopy to incorporate quadrupole interactions, since their roles have been increasingly recognized in the SFG spectroscopy. The extended theory involves some corrections to the conventional formulas of the nonlinear susceptibilities in both the interface and bulk regions, including the χIQB term. Fresnel transformations for the interface and bulk susceptibilities are rigorously applied, which implies inseparability of the interface and bulk signals in PSS and PPP cases. We examined the influence of the corrections with quantitative calculations of the susceptibilities, including dipolar and quadrupolar interactions.

  9. Detecting Centrosymmetric Molecular Ions at an Interface with Vibrational Sum Frequency Generation Spectroscopy Peer-reviewed

    Bijoya Mandal, Somaiyeh Dadashi, Koichi Kumagai, Tomonori Hirano, Tatsuya Ishiyama, Salsabil Abou-Hatab, Yunqian Zou, Spiridoula Matsika, Akihiro Morita, Eric Borguet

    The Journal of Physical Chemistry C　128　(50)　21508-21517　2024/12/04

    Publisher: American Chemical Society (ACS)

    DOI： 10.1021/acs.jpcc.4c05318 　

    ISSN： 1932-7447

    eISSN： 1932-7455

  10. Comment on “Sum-frequency vibrational spectroscopy of centrosymmetric molecule at interfaces” [J. Chem. Phys. 158, 074701 (2023)] Peer-reviewed

    Tomonori Hirano, Koichi Kumagai, Tatsuya Ishiyama, Akihiro Morita

    The Journal of Chemical Physics　160　(10)　2024/03/11

    Publisher: AIP Publishing

    DOI： 10.1063/5.0167357 　

    ISSN： 0021-9606

    eISSN： 1089-7690

  11. High-Sensitivity Detection of Molecular Vibrations by Phase-Sensitive Tip-Enhanced Sum Frequency Generation Spectroscopy with a Time-Delay Method

    Sakurai A., Takahashi S., Mochizuki T., Kumagai K., Hirano T., Morita A., Sugimoto T.

    Meeting Abstracts of the Physical Society of Japan　79.2　2293-2293　2024

    Publisher: The Physical Society of Japan

    DOI： 10.11316/jpsgaiyo.79.2.0_2293 　

    eISSN： 2189-0803

  12. Development of efficient computational analysis of difference infrared and Raman spectroscopies Peer-reviewed

    Tomonori Hirano, Naoya Yazawa, Lin Wang, Akihiro Morita

    The Journal of Chemical Physics　157　(12)　124105-124105　2022/09/28

    Publisher: AIP Publishing

    DOI： 10.1063/5.0108934 　

    ISSN： 0021-9606

    eISSN： 1089-7690

    More details Close

    Computational analysis of difference spectra between two analogous systems is a challenging issue, as reliable estimation of a tiny difference spectrum requires an extraordinary precision of the two original spectra. We have developed an alternative new method to calculate the difference spectra under background-free conditions, which greatly improved the efficiency of computation. In this paper, we report further improvement by using efficient parallel implementation and the time correlation formula based on time derivative quantities. As a consequence, the present work achieved further remarkable acceleration in the calculations of difference infrared and Raman spectra in the order of magnitude and thereby allowed us by analyzing these difference spectra at a practical cost of computation.

  13. Boundary effects and quadrupole contribution in sum frequency generation spectroscopy Peer-reviewed

    Tomonori Hirano, Akihiro Morita

    The Journal of Chemical Physics　156　(15)　2022/04/19

    DOI： 10.1063/5.0076400 　

    ISSN： 0021-9606

    eISSN： 1089-7690

  14. Recent progress in simulating microscopic ion transport mechanisms at liquid–liquid interfaces Peer-reviewed

    Akihiro Morita, Ai Koizumi, Tomonori Hirano

    The Journal of Chemical Physics　154　(8)　080901-080901　2021/02/28

    Publisher: AIP Publishing

    DOI： 10.1063/5.0039172 　

    ISSN： 0021-9606

    eISSN： 1089-7690

  15. Comment on “Toward Unraveling the Puzzle of Sum Frequency Generation Spectra at Interface of Aqueous Methanol Solution: Effects of Concentration-Dependent Hyperpolarizability” Peer-reviewed

    Tatsuya Ishiyama, Shinya Takagi, Tomonori Hirano, Lin Wang, Akihiro Morita

    The Journal of Physical Chemistry C　124　(45)　25160-25162　2020/11/12

    Publisher: American Chemical Society ({ACS})

    DOI： 10.1021/acs.jpcc.0c06234 　

    ISSN： 1932-7447

    eISSN： 1932-7455

  16. Electron Transfer Mechanism at the Oil/Water Interface Revealed by Multidimensional Free Energy Calculations Peer-reviewed

    Tomonori Hirano, Akihiro Morita

    The Journal of Physical Chemistry B　124　(18)　3811-3827　2020/05/07

    DOI： 10.1021/ACS.JPCB.0C01467 　

  17. Revealing Transient Shuttling Mechanism of Catalytic Ion Transport through Liquid-Liquid Interface Peer-reviewed

    Ai Koizumi, Hirofumi Tahara, Tomonori Hirano, Akihiro Morita

    The Journal of Physical Chemistry Letters　11　(4)　1584-1588　2020/02/05

    Publisher: American Chemical Society ({ACS})

    DOI： 10.1021/acs.jpclett.9b03742 　

    ISSN： 1948-7185

    eISSN： 1948-7185

  18. Singularity-free constraint on molecular dynamics beyond Lagrange multiplier Peer-reviewed

    Tomonori Hirano, Lin Wang, Akihiro Morita

    Molecular Simulation　44　(12)　965-972　2018/05/07

    DOI： 10.1080/08927022.2018.1467012 　

    ISSN： 0892-7022

  19. Effects of third-order susceptibility in sum frequency generation spectra: a molecular dynamics study in liquid water Peer-reviewed

    Tatsuya Joutsuka, Tomonori Hirano, Michiel Sprik, Akihiro Morita

    Physical Chemistry Chemical Physics　20　(5)　3040-3053　2018

    DOI： 10.1039/c7cp01978e 　

    ISSN： 1463-9076

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Misc. 2

  1. 【学位論文紹介】液体界面における電気化学および和周波分光の理論解析

    平野 智倫

    溶液化学研究会誌　4　2023/09

  2. 多次元自由エネルギー計算による液液界面電子移動の反応機構解析

    平野智倫

    アンサンブル　23　(2)　2021

    DOI： 10.11436/mssj.23.96 　

    ISSN： 1884-6750

Presentations 25

  1. 和周波発生における界面とバルクの高次多極子への局所場効果を記述する包括的理論の開発 Invited

    平野 智倫

    研究会「凝縮系の理論化学」　2026/03/11

  2. Comprehensive Analysis of Charge Transfer Reactions at Liquid-Liquid Interfaces Revealed by Multidimensional Free Energy Calculations Invited

    Tomonori Hirano, Akihiro Morita

    Pacifichem 2025 on Microscopic understanding of liquid-liquid interfaces and related phenomena: experiment and theory

  3. 和周波発生分光における電気四重極・磁気双極子の理論開発と実測スペクトルへの影響

    平野 智倫, 森田 明弘

    第19回分子科学討論会

  4. Development of Comprehensive Theory of Local Field for Multipole Effects in Sum Frequency Generation

    Tomonori Hirano

    Okazaki Conference on "Recent Advances and Perspectives of Interfacial Materials and Molecular Sciences lead by Next-generation Laser Techniques and Computational Science"

  5. 和周波発生における四極子分極の局所場を取り込んだ界面・バルクの統一理論の開発

    平野 智倫, 森田 明弘

    第27回理論化学討論会

  6. 和周波発生分光における包括的な局所場理論の開発と検証

    平野 智倫, 森田 明弘

    第18回分子科学討論会

  7. Issues on Boundary and Quadrupole in Calculations of Sum-Frequency Generation Spectra

    第9回SFG研究会　2023/11/13

  8. 和周波スペクトル計算におけるバルクの境界と四重極の影響

    平野 智倫, 森田 明弘

    第17回分子科学討論会

  9. Electron Transfer Mechanism at Liquid/Liquid Interfaces Revealed by Multi-Dimensional Free Energy Analyses

    T. Hirano, A. Morita

    International Symposium for the 80th Anniversary of the Tohoku Branch of the Chemical Society of Japan　2023/09/10

  10. Multidimensional Free Energy Analysis on Mechanism of Electron Transfer at Liquid/Liquid Interfaces

    Tomonori Hirano

    6-th China-Japan-Korea Workshop on Theoretical and Computational Chemistry (CJK-WTCC-VI)　2023/06/21

  11. 和周波スペクトル計算にバルクの境界と四重極が与える影響

    平野智倫, 森田明弘

    第25回理論化学討論会　2023/05/16

  12. Boundary Effects and Quadrupole Contribution in Calculation of Sum Frequency Generation Spectra Invited

    平野 智倫

    日本化学会第103春季年会

  13. Importance of Boundary Treatment and Quadrupole Contribution in Calculation of SFG Spectra Invited

    Tomonori Hirano

    Saitama SFG Colloquium II　2022/11/22

  14. 様々な振動差スペクトルに適用可能な効率的計算手法

    平野 智倫, 矢澤 尚也, 王 琳, 森田 明弘

    第16回分子科学討論会

  15. 振動差スペクトル計算の劇的な収束加速

    平野 智倫, 矢澤 尚也, 王 琳, 森田 明弘

    第24回理論化学討論会

  16. Multidimensional free energy analysis on electron transfer mechanism at the oil/water interface

  17. Microscopic mechanism of charge transfer at the oil/water interface revealed by extensive free energy analysis Invited

    平野 智倫

    化学系学協会東北大会 物理化学コロキウム　2021/10/02

  18. 和周波発生分光における四重極成分の時間依存形式による計算

    平野 智倫, 森田 明弘

    第15回分子科学討論会　2021/09/19

  19. 多次元自由エネルギー計算による液液界面における電子移動反応機構の解明

    平野 智倫, 森田 明弘

    第23回理論化学討論会　2021

  20. 油水界面電子移動の多次元自由エネルギー計算による反応機構解析

    平野 智倫, 森田 明弘

    第33回分子シミュレーション討論会

  21. 分子動力学シミュレーションによる油水界面電子移動の反応経路解析

    平野 智倫, 森田 明弘

    第13回分子科学討論会

  22. 液液界面における電子移動反応機構の多次元自由エネルギー計算

    平野 智倫, 森田 明弘

    第32回分子シミュレーション討論会

  23. 油水界面における電子移動反応機構の多次元自由エネルギー計算による理論的解析

    平野 智倫, Wang Lingjian, 田原 寛文, 小泉 愛, 森田 明弘

    第12回分子科学討論会

  24. Theoretical Analysis on Mechanism of Electron Transfer at Oil/Water Interfaces by Multidimensional Free Energy Calculations

    T. Hirano, L.-J. Wang, H. Tahara, A. Koizumi, A. Morita

    Tohoku University's Chemistry Summer School 2018

  25. 分子動力学シミュレーションによる油水界面での電子移動機構の研究

    平野 智倫, 杉林 敏大, 田原 寛文, 森田 明弘

    第11回分子科学討論会

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Research Projects 2

  1. 和周波スペクトルを予測する理論解析手法の開発

    平野 智倫

    Offer Organization: 日本学術振興会

    System: 科学研究費助成事業

    Category: 若手研究

    Institution: 東北大学

    2026/04 - 2031/03

  2. 液体界面における誘電率の理論計算と和周波発生分光への応用

    System: 公益財団法人 山田科学振興財団 海外研究援助

Teaching Experience 3

  1. 化学一般実験B　東北大学

  2. 自然科学総合実験　東北大学

  3. 化学基礎実験　東北大学