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Researcher Information

last modified:2023/12/05

Associate Professor IDA Tomonori

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Faculty, Affiliation

Faculty of Chemistry, Institute of Science and Engineering

College and School Educational Field

Division of Material Chemistry, Graduate School of Natural Science and Technology
Division of Material Chemistry, Graduate School of Natural Science and Technology
Course in Chemistry, School of Chemistry, College of Science and Engineering


Theoretical Chemistry TEL:076-264-5688 FAX:076-264-5742

Academic Background

【Academic background(Doctoral/Master's Degree)】
Kanazawa University Doctor Graduate School, Division of Science and Technology 200103 Accomplished credits for doctoral program
【Academic background(Bachelor's Degree)】
Kanazawa University 199403


MITSUBISHI Paper mills Tokyo Lab.(1996/04/01-1998/03/20)

Year & Month of Birth


Academic Society

The chemical society of japan
The chemical society of japan
Japan society of molecular science
Theoretical Chemistry



Basic chemistry

Speciality Keywords

Theoretical Chemistry, Quantum Chemistry

Research Themes

Development of computational method for ionized and excited states by electron propagator

Development of computational method for ionized and excited states by electron propagator We calculate ionization potential and excited energy of molecule and cluster by using electron propagator method. The method is useful to calculate multi-ionized and high excited states of molecule and observed electron spectra of the states are analyzed by the propagator.

X-ray photoelectron and emission spectrum simulation of molecule

X-ray photoelectron and emission spectrum simulation of molecule X-ray photoelectron and emission spectrum simulations of organic compounds are performed by application of molecular orbital theory or density functional theory (DFT). Particularly X-ray emission spectrum is analyzed using precise calculation of core-hole state by DFT.

Quantum wave packet simulation on hydrodynamics

Quantum wave packet simulation on hydrodynamics Quantum wave packet simulation is a useful method to reproduce photo-chemical reaction or electron transfer in which quantum effect plays important role. Wave packet simulation applied hydrodynamics is expected as a new method in deal with multi- dimension or level system. We investigate the quantum effect in chemical reaction by the method.



  •  Luminescence spectral analysis for Eu(III), and the dinuclear (Zn(II), Cu(II)) complexes with organic ligands by quantum chemical methods Kazunaka Endo,Tomonori Ida,Atsuo Yamazaki,Takashiro Akitsu,Yuko Hasegawa Chemical Physics 529 2020/01/15
  •  Gaussian process model of 51-dimensional potential energy surface for protonated imidazole dimer Hiroki Sugisawa,Tomonori Ida,R. V. Krems Journal of Chemical Physics 153 11 2020/09/21
  •  Anhydrous purely organic solid-state proton conductors: Effects of molecular dynamics on the proton conductivity of imidazolium hydrogen dicarboxylates Yoshiya Sunairi,Shun Dekura,Akira Ueda,Tomonori Ida,Motohiro Mizuno,Hatsumi Mori Journal of the Physical Society of Japan 89 5 2020/05/15
  •  Local Structures and Dynamics of Imidazole Molecules in Poly(vinylphosphonic acid)-Imidazole Composite Investigated by Molecular Dynamics Yuta Hori,Toshiya Suetake,Yoshihito Shiota,Kazunari Yoshizawa,Yasuteru Shigeta,Tomonori Ida,Motohiro Mizuno ACS APPLIED POLYMER MATERIALS 2 4 1561 2020/04
  •  Route to phonon-mediated high-Temperature unconventional superconductivity Fang Han Lim,Tomonori Ida,Mona Berciu Physical Review B 103 6 2021/02/17

show all

  •  Construction of a Potential Energy Surface Based on a Diabatic Model for Proton Transfer in Molecular Pairs Hori Yuta,Ida Tomonori,Mizuno Motohiro Concepts, Methods and Applications of Quantum Systems in Chemistry and Physics 179 2018/01
  •  Quantum structural fluctuations of protonated water clusters (H 2 O) n H + (n = 1 − 4) studied by variational molecular dynamics method Hiroki Sugisawa,Tomonori Ida,Shinichi Miura Journal of Molecular Liquids 284 157 2019/06/15
  •  Revisiting Formic Acid Decomposition by a Graph-Theoretical Approach Tomonori Ida,Manami Nishida,Yuta Hori Journal of Physical Chemistry A 123 44 9579 2019/11/07
  •  Proton Conduction Mechanism in Proton-Conducting PVPA-xIm Composites Investigated by Theoretical Approaches Yuta HORI,Toshiya SUETAKE,Tomonori IDA,Motohiro MIZUNO,Yasuteru SHIGETA Journal of Computer Chemistry, Japan 19 4 131 2020 
  •  Local structures and electronic properties of In atoms in In-doped ZnO Yuta Hori,Yoshihito Shiota,Tomonori Ida,Kazunari Yoshizawa,Motohiro Mizuno Thin Solid Films 685 428 2019/09/01
  •  Molecular motions of imidazole in poly(vinylphosphonic acid)-imidazole composites investigated by molecular dynamics simulations Yuta Hori,Toshiya Suetake,Yasuteru Shigeta,Tomonori Ida,Motohiro Mizuno Chemistry Letters 50 1 17 2021
  •  N-Heterocyclic Carbene-Catalyzed Chemoselective Monoacylation of 1,n-Linear Diols. Takahiro Soeta,Kota Kaneta,Yuichi Hatanaka,Tomonori Ida,Yutaka Ukaji Organic letters 23 21 8138 2021/11/05
  •  Proton Conduction Mechanism for Anhydrous Imidazolium Hydrogen Succinate Based on Local Structures and Molecular Dynamics Yuta Hori,Shun Dekura,Yoshiya Sunairi,Tomonori Ida,Motohiro Mizuno,Hatsumi Mori,Yasuteru Shigeta The Journal of Physical Chemistry Letters 12 22 5390 2021/06/10 
  •  Coulson–Fischer Wave Function on Self-consistent Field and Perturbation Correction  Masato Mogi, Tomonori Ida Chemistry Letters 52 2 59-62 2023/01/27
  •  Sequential Nucleophilic Substitution of Phosphorus Trichloride with Alcohols in a Continuous-Flow Reactor and Consideration of a Mechanism for Reduced Over-reaction through the Addition of Imidazole Hiroshi Kitamura, Yuma Otake, Naoto Sugisawa, Hiroki Sugisawa, Tomonori Ida, Hiroyuki Nakamura, Shinichiro Fuse Chemistry A European Journal 28 37 e202200932 2022/07/01
  •  Electron propagator theory Tomonori Ida Reference Module in Chemistry, Molecular Sciences and Chemical Engineering 2017
  •  Local structure and dynamics of imidazole molecules in proton-conducting poly(vinylphosphonic acid)-imidazole composite material Mizuno, Motohiro; Iwasaki, Ayano; Umiyama, Tsuyoshi; Ohashi, Ryutaro; Ida, Tomonori Macromolecules 47 21 7469-7476 2014/11/11 
  •  Local structure and molecular motions in imidazolium hydrogen malonate crystal as studied by 2H and 13C NMR Mizuno, Motohiro; Chizuwa, M.; Umiyama, Tsuyoshi; Kumagai, Yoshihide; Miyatou, T.; Ohashi, Ryutaro; Ida, Tomonori; Tansho, Masataka; Shimizu, Tadashi Hyperfine Interactions 2014/10/30 
  •  Molecular orientation of hydrogen-bonded liquid crystal (6BA)2-(BPy)x as Studied by 2H NMR Mizuno, Motohiro; Higashima, Y.; Yamashita, A.; Ishida, Y.; Miyatou, T.; Kumagai, Yoshihide; Ohashi, Ryutaro; Ida, Tomonori Hyperfine Interactions 2014/10/30 

Conference Presentations

  • Rules of Organic Reaction by Machine Learning(2022/09/19)


Arts and Fieldwork


Theme to the desired joint research

Grant-in-Aid for Scientific Research


Competitive research funding,Contribution

Collaborative research,Consignment study

Classes (Bachelors)

○World of Chemistry(2017)
○Introduction to Region-studies(2017)
○Lecture on Life in Campus and Society(2017)
○Theoretical Chemistry III(2017)
○Introduction of Chemistry B(2017)
○Experiments in Basic Chemistry A(2017)
○Experiments in Basic Chemistry C(2017)
○World of Chemistry(2017)
○World of Chemistry(2016)
○Experiments in Basic Chemistry C(2016)
○Theoretical Chemistry III(2016)

Classes (Graduate Schools)

○Seminar in Material Analysis(2017)
○Quantum Physical Chemistry(2017)
○Quantum Physical Chemistry(2017)
○Quantum Physical Chemistry(2017)
○Quantum Physical Chemistry(2017)
○Quantum Chemistry(2017)
○Material Analysis Chemistry I(2017)
○Seminar in Material Analysis(2017)
○Material Analysis Chemistry I(2016)
○Seminar in Material Analysis(2016)
○Quantum Chemistry(2016)
○Seminar in Material Analysis(2016)
○Quantum Physical Chemistry(2016)

International Project

International Students

Lecture themes

Others (Social Activities)

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