Tohoku Univ.
計算分子科学研究室

原著論文 総説・著書 講演 受賞等

原著論文

  1. "Gas/Liquid Interface for Aqueous Solutions of Phenol, Sodium Phenolate, 4-Nitrophenol and Aniline: pKa, Surface Potential and Polarization"
    Yo-ichi Yamamoto, Tomonori Hirano, Tatsuya Ishiyama, Akihiro Morita, Toshinori Suzuki, submitted for publication (2024).
  2. "Local Field Effects of Quadrupole Contributions on Sum Frequency Generation Spectroscopy"
    Tomonori Hirano and Akihiro Morita, submitted for publication (2024).
  3. "Detecting Centrosymmetric molecular ions at an Interface with Vibrational Sum Frequency Generation Spectroscopy"
    Bijoya Mandal, Somaiyeh Dadashi, Koichi Kumagai, Tomonori Hirano, Tatsuya Ishiyama, Salsabil Abou-Hatab, Yunqian Zou, Spiridoula Matsika, Akihiro Morita, Eric Borguet, J. Phys. Chem. C, in press (2024).
  4. "Comment on `Sum-frequency vibrational spectroscopy of centrosymmetric molecule at interfaces'"
    Tomonori Hirano, Koichi Kumagai, Tatsuya Ishiyama, and Akihiro Morita, J. Chem. Phys., 160, 107101 (2024).
  5. "Identification of Ion Pairs in Aqueous NaCl and KCl Solutions in Combination of Raman Spectroscopy, Molecular Dynamics and Quantum Chemical Calculations"
    Lin Wang, Akihiro Morita, Nicole M. North, Stephen M. Baumler, Elliot W. Springfield, Heather C. Allen, J. Phys. Chem. B, 127(7), 1618-1627 (2023).
  6. "Development of Efficient Computational Analysis of Difference Infrared and Raman Spectroscopies"
    Tomonori Hirano, Naoya Yazawa, Lin Wang, and Akihiro Morita, J. Chem. Phys., 157, 124105 (13 pages) (2022).
  7. "Boundary Effects and Quadrupole Contribution in Sum Frequency Generation Spectroscopy"
    Tomonori Hirano and Akihiro Morita, J. Chem. Phys., 156, 154109 (12 pages) (2022).
  8. "Why the Photochemical Reaction of Phenol Becomes Ultrafast at the Air-Water Interface: the Effect of Surface Hydration"
    Tatsuya Ishiyama, Tahei Tahara, and Akihiro Morita, J. Am. Chem. Soc., 144(14), 6321-6325 (2022). (see cover art of Issue 14)
  9. "Correction to 'Dispersion of Complex Refractive Indices for Intense Vibrational Bands. I Quantitative Spectra'"
    Ryo Murata, Ken-Ichi Inoue, Lin Wang, Shen Ye, and Akihiro Morita, J. Phys. Chem. B, 126(10), 2142 (2022).
  10. "Correction to 'Dispersion of Complex Refractive Indices for Intense Vibrational Bands. II Implication to Sum Frequency Generation Spectroscopy'"
    Lin Wang, Ryo Murata, Ken-Ichi Inoue, Shen Ye, and Akihiro Morita, J. Phys. Chem. B, 126(10), 2143 (2022).
  11. "Unraveling the Unstable Nature of Tetraglyme-Based Electrolytes Toward Superoxide and the Inhibitory Effect of Lithium Ions by Using in Situ Vibrational Spectroscopies"
    Aimin Ge, Ryuuta Nagai, P. Xu, Koki Kannari, Baoxu Peng, Ken-Ichi Inoue, Akihiro Morita, Shen Ye, J. Phys. Chem. C, 126(6), 2980-2989 (2022).
  12. "Exploration of Gas-Liquid Interfaces of Liquid Water and Methanol using Extreme Ultraviolet Laser Photoemission Spectroscopy"
    Yoichi Yamamoto, Tatsuya Ishiyama, Akihiro Morita, and Toshinori Suzuki, J. Phys. Chem. B, 125(37), 10514-10526 (2021).
  13. "Dispersion of Complex Refractive Indices for Intense Vibrational Bands. I Quantitative Spectra"
    Ryo Murata, Ken-ichi Inoue, Lin Wang, Shen Ye, and Akihiro Morita, J. Phys. Chem. B, 125(34), 9794-9803 (2021).
  14. "Dispersion of Complex Refractive Indices for Intense Vibrational Bands. II Implication to Sum Frequency Generation Spectroscopy"
    Lin Wang, Ryo Murata, Ken-ichi Inoue, Shen Ye, and Akihiro Morita, J. Phys. Chem. B, 125(34), 9804-9810 (2021) (also in JPC Virtual Issue "Sixty Years of Surface-Specific Spectroscopy").
  15. "Reply to 'Comment on "Bi-layering at ionic liquid surfaces: a sum-frequency generation vibrational spectroscopy and molecular dynamics simulation-based study"' by M. Deutsch, O. M. Magnussen, J. Haddad, D. Pontoni, B. M. Murphy and B. M. Ocko"
    Takashi Iwahashi, Tatsuya Ishiyama, Yasunari Sakai, Akihiro Morita, Doseok Kim, and Yukio Ouchi, Phys. Chem. Chem. Phys., 23(8), 5028-5030 (2021).
  16. "Comment on 'Toward Unraveling the Puzzle of Sum Frequency Generation Spectra at Interface of Aqueous Methanol Solution: Effects of Concentration-Dependent Hyperpolarizability'"
    Tatsuya Ishiyama, Shinya Takagi, Tomonori Hirano, Lin Wang, Akihiro Morita, J. Phys. Chem. C, 124(45), 25160-25162 (2020).
  17. "Development of Quadrupole Susceptibility Automatic Calculator in Sum Frequency Generation Spectroscopy and Application to Methyl C-H Vibrations"
    Wataru Mori, Lin Wang, Yamato Sato, Akihiro Morita, J. Chem. Phys., 153, 174705 (14 pages) (2020).
  18. "Quadrupole Contribution of C=O Vibrational Band in Sum Frequency Generation Spectra of Organic Carbonates"
    Lin Wang, Wataru Mori, Akihiro Morita, Masato Kondoh, Masanari Okuno, and Taka-aki Ishibashi, J. Phys. Chem. Lett., 11(20), 8527-8531 (2020).
  19. "In Situ Monitoring of the Unsaturated Phospholipid Monolayer Oxidation in the Ambient Air by HD-SFG Spectroscopy"
    Ken-ichi Inoue, Chunji Takada, Lin Wang, Akihiro Morita, and Shen Ye, J. Phys. Chem. B, 124(25) 5246-5250 (2020).
  20. "Bi-layering at Ionic Liquid Surfaces: A Sum-Frequency Generation Vibrational Spectroscopy- and Molecular Dynamics Simulation-based Study"
    Takashi Iwahashi, Tatsuya Ishiyama, Yasunari Sakai, Akihiro Morita, Doseok Kim, and Yukio Ouchi, Phys. Chem. Chem. Phys., 22(22), 12565-12576 (2020).
  21. "Refractive Index of Nanoconfined Water Reveals Its Anomalous Physical Properties"
    Thu H. H. Le, Akihiro Morita, and Takuo Tanaka, Nanoscale Horiz., 5(6), 1016-1024 (2020).
  22. "Electron Transfer Mechanism at the Oil/Water Interface Revealed by Multidimensional Free Energy Calculations"
    Tomonori Hirano and Akihiro Morita, J. Phys. Chem. B, 124(18), 3811-3827 (2020).
  23. "Large-Scale Parallel Implementation of Hartree-Fock Exchange Energy on the Real-Space Grids Using 3D-Parallel Fast Fourier Transform"
    Hideaki Takahashi, Shun Sakuraba, and Akihiro Morita, J. Chem. Inf. Model., 60(3), 1376-1389 (2020).
  24. "Revealing Transient Shuttling Mechanism of Catalytic Ion Transport through Liquid-Liquid Interface"
    Ai Koizumi, Hirofumi Tahara, Tomonori Hirano, and Akihiro Morita, J. Phys. Chem. Lett., 11(4), 1584-1588 (2020).
  25. "Nonlinear Spectroscopy and Interfacial Structure and Dynamics"
    Alexander Benderskii and Akihiro Morita, J. Chem. Phys., 151, 150401 (2019).
  26. "Nuclear Quantum Effect on the χ(2) Band Shape of Vibrational Sum Frequency Generation Spectra of Normal and Deuterated Water Surfaces"
    Tatsuya Ishiyama and Akihiro Morita, J. Phys. Chem. Lett., 10, 5070-5075 (2019).
  27. "Role of the Photosystem II as an Environment on the Oxidation Free Energy of the Mn Cluster from S1 to S2"
    Hideaki Takahashi, Daiki Suzuoka, Shun Sakuraba, Akihiro Morita, J. Phys. Chem. B, 123(33), 7081-7091 (2019).
  28. "Effect of Frequency-Dependent Fresnel Factor on the Vibrational Sum Frequency Generation Spectra for Liquid/Solid Interfaces"
    Lin Wang, Satoshi Nihonyanagi, Ken-ichi Inoue, Kei Nishikawa, Akihiro Morita, Shen Ye, Tahei Tahara, J. Phys. Chem. C, 123(25) 15665-15673 (2019).
  29. "Calculation of Solvation Free Energy Utilizing a Constrained QM/MM Approach Combined with a Theory of Solutions"
    Hideaki Takahashi, Hiroyuki Kambe, and Akihiro Morita, J. Chem. Phys. 150, 114109 (2019).
  30. "Topologically Disordered Mesophase at Topmost Surface of Crystalline Ice between 120 and 200 K"
    Toshiki Sugimoto, Yuji Otsuki, Tatsuya Ishiyama, Akihiro Morita, Kazuya Watanabe, and Yoshiyasu Matsumoto, Phys. Rev. B 99, 121402 (2019).
  31. "Molecular Structure and Vibrational Spectra at Water/Poly(2-methoxyethylacrylate) and Water/Poly(methyl methacrylate) Interfaces: A Molecular Dynamics Simulation Study"
    Sho Kishinaka, Akihiro Morita, and Tatsuya Ishiyama, J. Chem. Phys., 150, 044707 (2019).
  32. "Origin of the Overpotential for the Oxygen Evolution Reaction on a Well-defined Graphene Electrode Probed by in situ Sum Frequency Generation Spectroscopy"
    Qiling Peng, Jiafeng Chen, Hengxing Ji, Akihiro Morita, and Shen Ye, J. Am. Chem. Soc., 140(46) 15548-15571 (2018).
  33. "Metamaterials-Enhanced Infrared Spectroscopic Study of Nanoconfined Molecules by Plasmonics-Nanofluidics Hydrid Device"
    Thu Le, Akihiro Morita, Kazuma Mawatari, Takehiko Kitamori, and Takuo Tanaka, ACS Photonics, 5(8), 3179-3188 (2018).
  34. "Electrolyte and Temperature Effects on Third-Order Susceptibility in Sum Frequency Generation Spectroscopy of Aqueous Salt Solutions"
    Tatsuya Joutsuka and Akihiro Morita, J. Phys. Chem. C, 122(21), 11407-11413 (2018).
  35. "Bulk Contributions Modulate the Sum-Frequency Generation Spectra of Interfacial Water on Model Sea-Spray Aerosols"
    Sandeep K. Reddy, Raphael Thiraux, Bethany A. Wellen Rudd, Lu Lin, Tehseen Adel, Tatsuya Joutsuka, Franz M. Geiger, Heather C. Allen, Akihiro Morita, and Francesco Paesani, Chem, 4(12) 1629-1644 (2018).
  36. "Singularity-Free Constraint on Molecular Dynamics beyond Lagrange Multiplier"
    Tomonori Hirano, Lin Wang, and Akihiro Morita, Mol. Sim., 44(12) 965-972 (2018).
  37. "Microscopic Investigation of Ethylene Carbonate Interface: A Molecular Dynamics and Vibrational Spectroscopic Study"
    Lin Wang, Liang Xin, Tatsuya Ishiyama, Qiling Peng, Shen Ye, and Akihiro Morita, Acta Phys. Chim. Sin., 34(10), 1124-1135 (2018).
  38. "A Simple and Efficacious Solution to the Constrained QM/MM Simulations"
    Hideaki Takahashi, Hiroyuki Kambe, and Akihiro Morita, J. Chem. Phys., 148, 134119 (2018).
  39. "Hydrated Ion Clusters in Hydrophobic Liquid: Equilibrium Distribution, Kinetics and Implications"
    Lingjian Wang, Nobuaki Kikkawa, and Akihiro Morita, J. Phys. Chem. B, 122(13), 3562-3571 (2018).
  40. "Molecular Dynamics Study of Structure and Vibrational Spectra at Zwitterionoic Lipid/Aqueous KCl, NaCl, and CaCl2 Solution Interfaces"
    Tatsuya Ishiyama, Shinnosuke Shirai, Tomoaki Okumura, Akihiro Morita, J. Chem. Phys., 148, 222801 (2018).
  41. "Effect of Third-Order Susceptibility in Sum Frequency Generation Spectroscopy: Molecular Dynamics Study in Liquid Water"
    Tatsuya Joutsuka, Tomonori Hirano, Michiel Sprik, and Akihiro Morita, Phys. Chem. Chem. Phys., 20(5), 3040-3053 (2018). (PCCP HOT Article)
  42. "Structure at the Air/Water Interface in the Presence of Phenol: A Study using Heterodyne-Detected Vibrational Sum Frequency Generation and Molecular Dynamics Simulation"
    Ryoji Kusaka, Tatsuya Ishiyama, Satoshi Nihonyanagi, Akihiro Morita, and Tahei Tahara, Phys. Chem. Chem. Phys., 20(5), 3002-3009 (2018).
  43. "Theoretical Investigation of C-H Vibrational Spectroscopy. 2. Unified Assignment Method of IR, Raman and SFG Spectra of Ethanol"
    Lin Wang, Tatsuya Ishiyama, and Akihiro Morita, J. Phys. Chem. A, 121(36), 6701-6712 (2017).
  44. "Theoretical Investigation of C-H Vibrational Spectroscopy. 1. Modeling of Methyl and Methylene Groups of Ethanol with Different Conformers"
    Lin Wang, Tatsuya Ishiyama, and Akihiro Morita, J. Phys. Chem. A, 121(36), 6687-6700 (2017).
  45. "A QM/MM Study on the Correlation between the Polarizations of π and σ Electrons in a Hydrated Benzene"
    Daiki Suzuoka, Hideaki Takahashi, and Akihiro Morita, Mol. Sim., 43(13-16), 1209-1217 (2017).
  46. "Unveiling Subsurface Hydrogen-Bond Structure of Hexagonal Water Ice"
    Yuji Otsuki, Toshiki Sugimoto, Tatsuya Ishiyama, Akihiro Morita, Kazuya Watanabe, and Yoshiyasu Matsumoto, Phys. Rev. B, 96, 115405 (14 pages) (2017).
  47. "Theoretical and Experimental Examination on SFG Polarization Analysis at Acetonitrile-Water Solution Surfaces"
    Kengo Saito, Qiling Peng, Lin Qiao, Lin Wang, Tatsuya Joutsuka, Tatsuya Ishiyama, Shen Ye, and Akihiro Morita, Phys. Chem. Chem. Phys., 19(13), 8941-8961 (2017).
  48. "Drastic Compensation of the Electronic and Solvation Effects on the ATP Hydrolysis Revealed through a Large-Scale QM/MM Simulations Combined with a Theory of Solutions"
    Hideaki Takahashi, Satoru Umino, Yuuji Miki, Ryosuke Ishizuka, Akihiro Morita, Makoto Suzuki, and Nobuyuki Matubayasi, J. Phys. Chem. B, 121(10), 2279-2287 (2017).
  49. "Experimental and Theoretical Evidence for Bilayer-by-Bilayer Surface Melting of Crystalline Ice"
    M. Alejandra Sánchez, Tanja Kling, Tatsuya Ishiyama, Marc-Jan van Zadel, Patrick J. Bisson, Markus Mezger, Mara Nikola Jochum, Jenée D. Cyran, Wilbert J. Smit, Huib J. Bakker, Mary Jane Shultz, Akihiro Morita, Davide Donadio, Yuki Nagata, Mischa Bonn, Ellen H. G. Backus, Proc. Natl. Acad. Sci., 114(2), 227-232 (2017).
  50. "Efficient Computation of Difference Vibrational Spectra in Isothermal-Isobaric Ensemble"
    Tatsuya Joutsuka and Akihiro Morita, J. Phys. Chem. B, 120(43), 11229-11238 (2016).
  51. "Improved Theory of Difference Vibrational Spectroscopy and Application to Water"
    Tatsuya Joutsuka and Akihiro Morita, J. Chem. Theory Comput., 12(10), 5026-5036 (2016).
  52. "Condensed Phase QM/MM Simulations Utilizing the Exchange Core Functions to Describe Exchange Repulsions at the QM Boundary Region"
    Satoru Umino, Hideaki Takahashi, and Akihiro Morita, J. Chem. Phys., 145, 084107 (2016).
  53. "Surface Structure of Organic Carbonate Liquids Investigated by Molecular Dynamics Simulation and Sum Frequency Generation Spectroscopy"
    Lin Wang, Qiling Peng, Shen Ye, and Akihiro Morita, J. Phys. Chem. C, 120(28), 15185-15197 (2016).
  54. "Computational Study of Effect of Water Finger on Ion Transport through Water-Oil Interface"
    Nobuaki Kikkawa, Lingjian Wang, and Akihiro Morita, J. Chem. Phys., 145, 014702 (17 pages) (2016).
  55. "Bend Vibration of Surface Water Investigated by Heterodyne-Detected Sum Frequency Generation and Theoretical Study: Dominant Role of Quadrupole"
    Achintya Kundu, Shogo Tanaka, Tatsuya Ishiyama, Mohammed Ahmed, Ken-ichi Inoue, Satoshi Nihonyanagi, Hiromi Sawai, Shoichi Yamaguchi, Akihiro Morita, and Tahei Tahara, J. Phys. Chem. Lett., 7(13), 2597-2601 (2016).
  56. "Efficient Spectral Diffusion at the Air/Water Interface Revealed by Femtosecond Time-Resolved Heterodyne-Detected Vibrational Sum Frequency Generation Spectroscopy"
    Ken-ichi Inoue, Tatsuya Ishiyama, Satoshi Nihonyanagi, Shoichi Yamaguchi, Akihiro Morita, and Tahei Tahara, J. Phys. Chem. Lett., 7(10), 1811-1815 (2016).
  57. "Hydrogen Bonding Structure at Zwitterionic Lipid/Water Interface"
    Tatsuya Ishiyama, Daichi Terada, and Akihiro Morita, J. Phys. Chem. Lett., 7(2), 216-220 (2016).
  58. "Liquid/Liquid Interface Layering of 1-Butanol and [bmim]PF6 Ionic Liquid: A Nonlinear Vibrational Spectroscopy and Molecular Dynamics Simulation Study"
    Takashi Iwahashi, Tatsuya Ishiyama, Yasunari Sakai, Akihiro Morita, Doseok Kim, and Yukio Ouchi, Phys. Chem. Chem. Phys., 17(38), 24587-24597 (2015).
  59. "Construction of Exchange Repulsion in Terms of the Wave Functions at QM/MM Boundary Region"
    Hideaki Takahashi, Satoru Umino, and Akihiro Morita, J. Chem. Phys., 143, 084104 (11 pages) (2015).
  60. "Microscopic Barrier Mechanism of Ion Transport through Liquid-Liquid Interface"
    Nobuaki Kikkawa, Lingjian Wang, and Akihiro Morita, J. Am. Chem. Soc., 137(25), 8022-8025 (2015).
    ("Spotlights on Recent JACS Publications" J. Am. Chem. Soc., 137(26), 8311-8312 (2015).)
  61. "Surface Structure of Methanol/Water Solutions via Sum-Frequency Orientational Analysis and Molecular Dynamics Simulation"
    Takashi Ishihara, Tatsuya Ishiyama, and Akihiro Morita, J. Phys. Chem. C, 119(18), 9879-9889 (2015).
  62. "Molecular Dynamics Study of Two-Dimensional Sum Frequency Generation Spectra at Vapor/Water Interface"
    Tatsuya Ishiyama, Akihiro Morita, and Tahei Tahara, J. Chem. Phys., 142, 212407 (13 pages) (2015).
  63. "Why is Benzene Soluble in Water? Role of OH/π Interaction in Solvation"
    Hideaki Takahashi, Daiki Suzuoka, and Akihiro Morita, J. Chem. Theory Comput., 11, 1181-1194 (2015).
  64. "Molecular Dynamics Analysis of NaOH Aqueous Solution Surface and the Sum Frequency Generation Spectra: Is Surface OH- Detected by SFG Spectroscopy?"
    Takako Imamura, Tatsuya Ishiyama, and Akihiro Morita, J. Phys. Chem. C, 118(50), 29017-29027 (2014).
  65. "Erratum: `Theory and Efficient Computation of Differential Vibrational Spectra' [J. Chem. Phys., 140, 144109 (2014)]"
    Suguru Sakaguchi, Tatsuya Ishiyama, and Akihiro Morita, J. Chem. Phys., 141, 149901 (2014).
  66. "A Direct Evidence of Vibrationally Delocalized Response at Ice Surface"
    Tatsuya Ishiyama and Akihiro Morita, J. Chem. Phys., 141, 18C503 (4 pages) (2014).
  67. "Theory and Efficient Computation of Differential Vibrational Spectra"
    Suguru Sakaguchi, Tatsuya Ishiyama, and Akihiro Morita, J. Chem. Phys., 140, 144109 (13 pages) (2014).
  68. "Computation of the Free Energy due to Electron Density Fluctuation of a Solute in Solution: A QM/MM Method with Perturbation Approach Combined with a Theory of Solutions"
    Daiki Suzuoka, Hideaki Takahashi, and Akihiro Morita, J. Chem. Phys., 140, 134111 (12 pages) (2014).
  69. "Reply to "Comment on `Surface Acidity of Water Probed by Free Energy Calculation for Trimethylamine Protonation'""
    Yusuke Tabe, Nobuaki Kikkawa, Hideaki Takahashi, and Akihiro Morita, J. Phys. Chem. C, 118(5), 2895-2895 (2014).
  70. "Surface Acidity of Water Probed by Free Energy Calculation for Trimethylamine Protonation"
    Yusuke Tabe, Nobuaki Kikkawa, Hideaki Takahashi, and Akihiro Morita, J. Phys. Chem. C, 118(2), 977-988 (2014).
  71. "Real-Time Observation of the Destruction of Hydration Shells"
    Akira Yamakata, Eiji Soeta, Tatsuya Ishiyama, Masatoshi Osawa, and Akihiro Morita, J. Am. Chem. Soc., 135(40), 15033-15039 (2013).
  72. "Tip-Enhanced Raman Spectroscopy of 4,4'-Bipyridine and 4,4'-Bipyridine N, N'-Dioxide Adsorbed on Gold Thin Films"
    Izabela I. Rzeznicka, Hideyuki Horino, Nobuaki Kikkawa, Suguru Sakaguchi, Akihiro Morita, Satoshi Takahashi, Tadahiro Komeda, Hiroshi Fukumura, Taro Yamada, and Maki Kawai, Surf. Sci., 617, 1-9 (2013).
  73. "Molecular Dynamics Study of Water Transfer at Supercooled Sulfuric Acid Solution Surface Covered with Butanol"
    Suguru Sakaguchi and Akihiro Morita, J. Phys. Chem. A, 117(22), 4602-4610 (2013).
  74. "A Molecular Dynamics Study on Inner Pressure of Microbubbles in Liquid Argon and Water"
    Hideaki Takahashi and Akihiro Morita, Chem. Phys. Lett., 573, 35-40 (2013).
  75. "Computational Analysis of the Quadrupole Contribution in the Second-Harmonic Generation Spectroscopy for the Water/Vapor Interface"
    Kazuya Shiratori, Shoichi Yamaguchi, Tahei Tahara, and Akihiro Morita, J. Chem. Phys., 138, 064704 (8 pages) (2013).
  76. "Development of a Methodology to Compute Solvation Free Energies on the Basis of the Theory of Energy Representation for Solutions Represented with a Polarizable Force Field"
    Daiki Suzuoka, Hideaki Takahashi, Tatsuya Ishiyama, and Akihiro Morita, J. Chem. Phys., 137, 214503 (10 pages) (2012).
  77. "Origin of Vibrational Spectroscopic Response at Ice Surface"
    Tatsuya Ishiyama, Hideaki Takahashi, and Akihiro Morita, J. Phys. Chem. Lett., 3(20), 3001-3006 (2012).
  78. "Theory of Quadrupole Contributions from Interface and Bulk in Second-Order Optical Processes"
    Kazuya Shiratori and Akihiro Morita, Bull. Chem. Soc. Jpn., 85(10), 1061-1076 (2012).
  79. "Interfacial Structures and Vibrational Spectra at Liquid/Liquid Boundaries: Molecular Dynamics Study of Water/Carbon Tetrachloride and Water/1,2-Dichloroethane Interfaces"
    Tatsuya Ishiyama, Yuji Sato, and Akihiro Morita, J. Phys. Chem. C, 116(40), 21439-21446 (2012).
  80. "Mass Accommodation Mechanism of Water through Monolayer Films at Water/Vapor Interface"
    Suguru Sakaguchi and Akihiro Morita, J. Chem. Phys., 137, 064701 (9 pages) (2012).
  81. "Molecular Dynamics Simulations of Surface-Specific Bonding of the Hydrogen Network of Water: A Solution to the Low Sum-Frequency Spectra"
    Tatsuya Ishiyama, Hideaki Takahashi, and Akihiro Morita, Phys. Rev. B, 86, 035408 (10 pages) (2012).
  82. "Mechanisms of Sum Frequency Generation from Liquid Benzene: Symmetry Breaking at Interface and Bulk Contribution"
    Tatsuya Kawaguchi, Kazuya Shiratori, Yuki Henmi, Tatsuya Ishiyama, and Akihiro Morita, J. Phys. Chem. C, 116(24), 13169-13182 (2012).
  83. "Simple and Exact Approach to the Electronic Polarization Effect on the Solvation Free Energy: Formulation for Quantum-Mechanical / Molecular-Mechanical System and its Applications to Aqueous Solutions"
    Hideaki Takahashi, Atsushi Omi, Akihiro Morita, and Nobuyuki Matubayasi, J. Chem. Phys., 136, 214503 (12 pages) (2012).
  84. "Surface Structures of NaF and Na2SO4 Aqueous Solutions: Specific Effects of Hard Ions on Surface Vibrational Spectra"
    Takako Imamura, Yuri Mizukoshi, Tatsuya Ishiyama, and Akihiro Morita, J. Phys. Chem. C, 116(21), 11082-11090 (2012).
  85. "Molecular Dynamics Study of Phase Transfer Catalyst for Ion Transfer through Water-Chloroform Interface"
    Nobuaki Kikkawa, Tatsuya Ishiyama, and Akihiro Morita, Chem. Phys. Lett., 534, 19-22 (2012).
  86. "Vibrational Spectrum at Water Surface: A Hybrid Quantum Mechanics/Molecular Mechanics Molecular Dynamics Approach"
    Tatsuya Ishiyama, Hideaki Takahashi, and Akihiro Morita, J. Phys.: Condens. Matter, 24, 124107 (7 pages) (2012).
  87. "Nonlinear Vibrational Spectroscopic Studies on the Ionic Liquid([Cnmim]TFSA (n=4,8))/Water Interfaces"
    Takashi Iwahashi, Yasunari Sakai, Doseok Kim, Tatsuya Ishiyama, Akihiro Morita, and Yukio Ouchi, Faraday Discuss., 154, 289-301 (2012).
  88. "Surface Structure of Sulfuric Acid Solution Relevant to Sulfate Aerosol: Molecular Dynamics Simulation Combined with Sum Frequency Generation Measurement"
    Tatsuya Ishiyama, Akihiro Morita, and Takayuki Miyamae, Phys. Chem. Chem. Phys., 13(47), 20965-20973 (2011).
  89. "Unified Molecular View of Air/Water Interface Based on Experimental and Theoretical χ(2) Spectra of Isotopically Diluted Water Surface"
    Satoshi Nihonyanagi, Tatsuya Ishiyama, Touk-kwan Lee, Shoichi Yamaguchi, Mischa Bonn, Akihiro Morita, and Tahei Tahara, J. Am. Chem. Soc., 133(42), 16875-16880 (2011).
  90. "Molecular Dynamics Simulation of Sum Frequency Generation Spectra of Aqueous Sulfuric Acid Solution"
    Tatsuya Ishiyama and Akihiro Morita, J. Phys. Chem. C, 115(28), 13704-13716 (2011).
  91. "Molecular Theory on Dielectric Constant at Interfaces: A Molecular Dynamics Study of the Water/Vapor Interface"
    Kazuya Shiratori and Akihiro Morita, J. Chem. Phys., 134, 234705 (10 pages) (2011).
  92. "Electric Quadrupole Contribution to the Nonresonant Background of Sum Frequency Generation at Air/Liquid Interfaces"
    Shoichi Yamaguchi, Kazuya Shiratori, Akihiro Morita, and Tahei Tahara, J. Chem. Phys., 134, 184705 (7 pages) (2011).
  93. "Energetic Origin of Proton Affinity to the Air/Water Interface"
    Hideaki Takahashi, Kunihiro Maruyama, Yasuhito Karino, Akihiro Morita, Masayoshi Nakano, Pavel Jungwirth, and Nobuyuki Matubayasi, J. Phys. Chem. B, 115(16), 4745-4751 (2011).
  94. "Molecular Dynamics Simulation of Liquid Methanol. II. Unified Assignment of Infrared, Raman, and Sum Frequency Generation Vibrational Spectra in Methyl C-H Stretching Region"
    Tatsuya Ishiyama, Vladimir V. Sokolov, and Akihiro Morita, J. Chem. Phys., 134, 024510 (11 pages) (2011).
  95. "Molecular Dynamics Simulation of Liquid Methanol. I. Molecular Modeling including C-H Vibration and Fermi Resonance"
    Tatsuya Ishiyama, Vladimir V. Sokolov, and Akihiro Morita, J. Chem. Phys. 134, 024509 (18 pages) (2011).
  96. " 'Half Hydration' at the Air/Water Interface Revealed by HD-ESFG Spectroscopy, Polarization SHG, and MD Simulation"
    Hidekazu Watanabe, Shoichi Yamaguchi, Sobhan Sen, Akihiro Morita, and Tahei Tahara, J. Chem. Phys., 132, 144701 (9 pages) (2010).
  97. "Analysis of Anisotropic Local Field in Sum Frequency Generation Spectroscopy with the Charge Response Kernel Water Model"
    Tatsuya Ishiyama and Akihiro Morita, J. Chem. Phys., 131, 244714 (17 pages) (2009). (Also in Virt. J. Bio. Phys. Res., 19(1) (2010).)
  98. "Vibrational Spectroscopic Response of Intermolecular Orientational Correlation at the Water Surface"
    Tatsuya Ishiyama and Akihiro Morita, J. Phys. Chem. C, 113(37), 16299-16302 (2009).
  99. "Molecular Theory of Mass Transfer Kinetics and Dynamics at Gas/Water Interface"
    Akihiro Morita and Bruce C. Garrett, Flu. Dyn. Res., 40(7-8), 459-473 (2008).
  100. "First Acid Dissociation at an Aqueous H2SO4 Interface with Sum Frequency Generation Spectroscopy"
    Takayuki Miyamae, Akihiro Morita, and Yukio Ouchi, Phys. Chem. Chem. Phys., 10(15), 2010-2013 (2008).
  101. "Molecular Dynamics Analysis of Interfacial Structures and Sum Frequency Generation Spectra of Aqueous Hydrogen Halide Solutions"
    Tatsuya Ishiyama and Akihiro Morita, J. Phys. Chem. A, 111(38), 9277-9285 (2007).
  102. "Molecular Dynamics Study of Gas-Liquid Aqueous Sodium Halide Interfaces II. Analysis of Vibrational Sum Frequency Generation Spectra"
    Tatsuya Ishiyama and Akihiro Morita, J. Phys. Chem. C, 111(2), 738-748 (2007).
  103. "Molecular Dynamics Study of Gas-Liquid Aqueous Sodium Halide Interfaces I. Flexible and Polarizable Molecular Modeling and Interfacial Properties"
    Tatsuya Ishiyama and Akihiro Morita, J. Phys. Chem. C, 111(2), 721-737 (2007).
  104. "Intermolecular Correlation Effect in Sum Frequency Generation Spectroscopy of Electrolyte Aqueous Solution"
    Tatsuya Ishiyama and Akihiro Morita, Chem. Phys. Lett., 431(1-3), 78-82 (2006).
  105. "Extended Treatment of Charge Response Kernel Comprising the Density Functional Theory and Charge Regulation Procedures"
    Tateki Ishida and Akihiro Morita, J. Chem. Phys., 125, 074112 (11 pages) (2006).
  106. "Improved Computation of Sum Frequency Generation Spectrum of Water Surface"
    Akihiro Morita, J. Phys. Chem. B, 110(7), 3158-3163 (2006).
  107. "Charge Response Kernel Theory based on Ab Initio and Density Functional Calculations"
    Akihiro Morita and Tateki Ishida, Lecture Series on Computer and Computational Sciences, 4, 663-666 (2005), Brill Academic Publishers, Leiden.
  108. "Reply to "Comment on 'Mass Accommodation Coefficient of Water: Molecular Dynamics Simulation and Revised Analysis of Droplet Train/Flow Reactor Experiment'"
    Akihiro Morita, Masakazu Sugiyama, Seiichiro Koda, and David R. Hanson, J. Phys. Chem. B, 109(30), 14747-14749 (2005).
  109. "Electronic Relaxation Dynamics of Ni2+ Ion Aqueous Solution: Molecular Dynamics Simulation"
    Satoru Iuchi, Akihiro Morita, and Shigeki Kato, J. Chem. Phys., 123, 024505 (11 pages) (2005).
  110. "Toward Computation of Bulk Quadrupolar Signals in Vibrational Sum Frequency Generation Spectroscopy"
    Akihiro Morita, Chem. Phys. Lett., 398(4-6), 361-366 (2004).
  111. "Potential Energy Surfaces and Dynamics of Ni2+ Ion Aqueous Solution: Molecular Dynamics Simulation of the Electronic Absorption Spectrum"
    Satoru Iuchi, Akihiro Morita, and Shigeki Kato, J. Chem. Phys., 121(17), 8446-8457 (2004).
  112. "Reply to "Comment on 'Gas-Phase Flow and Diffusion Analysis of the Droplet Train/Flow Reactor Technique for the Mass Accommodation Processes'" "
    Akihiro Morita, Masakazu Sugiyama, and Seiichiro Koda, J. Phys. Chem. A, 108(40), 8544-8545 (2004).
  113. "Mass Accommodation Coefficient of Water: Molecular Dynamics Simulation and Revised Analysis of Droplet Train/Flow Reactor Experiment"
    Akihiro Morita, Masakazu Sugiyama, Hirofumi Kameda, Seiichiro Koda, and David R. Hanson, J. Phys. Chem. B, 108(26), 9111-9120 (2004).
  114. "Uptake of the HO2 Radical by Water: Molecular Dynamics Calculations and Their Implications to Atmospheric Modeling"
    Akihiro Morita, Yugo Kanaya, and Joseph S. Francisco, J. Geophys. Res., 109, D09201 (10 pages) (2004).
  115. "Revised Kinetics in the Droplet Train Apparatus Due to a Wall Loss"
    David R. Hanson, Masakazu Sugiyama, and Akihiro Morita, J. Phys. Chem. A, 108(17), 3739-3744 (2004).
  116. "Templating Effects on Mineralization of Layered Inorganic Compounds: (1) Density Functional Calculations of Formation of Single Layered Magnesium Hydroxide as a Brucite Model"
    Hisako Sato, Akihiro Morita, Kanta Ono, Haruyuki Nakano, Noboru Wakabayashi, and Akihiko Yamagishi, Langmuir, 19(17), 7120-7126 (2003).
  117. "Molecular Dynamics Study of Mass Accommodation of Methanol at Liquid-Vapor Interface of Methanol/Water Binary Solutions of Various Concentrations"
    Akihiro Morita, Chem. Phys. Lett., 375(1-2), 1-8 (2003).
  118. "Gas-Phase Flow and Diffusion Analysis of the Droplet Train/Flow Reactor Technique for the Mass Accommodation Processes"
    Akihiro Morita, Masakazu Sugiyama, and Seiichiro Koda, J. Phys. Chem. A, 107(11), 1749-1759 (2003).
  119. "Water Polarizability in Condensed Phase: Ab Initio Evaluation by Cluster Approach"
    Akihiro Morita, J. Comp. Chem., 23(15), 1466-1471 (2002).
  120. "Numerical Analysis on Gas-Phase Diffusion Resistance in the Droplet Train Apparatus"
    Masakazu Sugiyama, Seiichiro Koda, and Akihiro Morita, Chem. Phys. Lett., 362(1-2), 56-62 (2002).
  121. "The Charge Response Kernel with Modified Electrostatic Potential Charge Model"
    Akihiro Morita and Shigeki Kato, J. Phys. Chem. A, 106(15), 3909-3916 (2002).
  122. "Molecular Dynamics Simulation with the Charge Response Kernel: Vibrational Spectra of Liquid Water and N-Methylacetamide in Aqueous Solution"
    Satoru Iuchi, Akihiro Morita, and Shigeki Kato, J. Phys. Chem. B, 106(13), 3466-3476 (2002).
  123. "A Theoretical Analysis of the Sum Frequency Generation Spectrum of the Water Surface II. Time-Dependent Approach"
    Akihiro Morita and James T. Hynes, J. Phys. Chem. B, 106(3), 673-685 (2002).
  124. "Charge Polarization with Large Amplitude Hydrogen Motion of Pyrazinyl Radical: Implication for the Diffusion Dynamics"
    Akihiro Morita and Shigeki Kato, Chem. Phys. Lett., 348(1-2), 155-159 (2001).
  125. "Is the H2OCl+ Ion a Viable Intermediate for the Hydrolysis of ClONO2 on Ice Surface?"
    Roberto Bianco, Ward H. Thompson, Akihiro Morita, and James T. Hynes, J. Phys. Chem. A, 105(13), 3132-3139 (2001).
  126. "A Theoretical Analysis of the Sum Frequency Generation Spectrum of the Water Surface"
    Akihiro Morita and James T. Hynes, Chem. Phys., 258(2-3), 371-390 (2000).
  127. "Solvent Electronic Polarization Effect on the Electronic Transitions in Solution: Charge Polarizable Reference Interaction Site Model Self-Consistent Field Approach"
    Kazunari Naka, Akihiro Morita, and Shigeki Kato, J. Chem. Phys., 111(2), 481-491 (1999).
  128. "An ab initio Analysis on Medium Perturbation on Molecular Polarizabilities"
    Akihiro Morita and Shigeki Kato, J. Chem. Phys., 110(24), 11987-11998 (1999).
  129. "RISM-SCF Study for the Free Energy Profile of Menshutkin Type Reaction NH3 + CH3Cl → NH3CH3+ + Cl- in Aqueous Solution"
    Kazunari Naka, Hirofumi Sato, Akihiro Morita, Fumio Hirata, and Shigeki Kato, Theor. Chem. Acc., 102(1-6), 165-169 (1999).
  130. "Time Dependent Diffusion Coefficient and the Transient Dynamics of Diffusion Controlled Bimolecular Reactions in Liquids: A Mode Coupling Theory Analysis"
    Akihiro Morita and Biman Bagchi, J. Chem. Phys., 110(17), 8643-8652 (1999).
  131. "Effect of Solvent Fluctuation on the Electronic Transition of Formaldehyde in Aqueous Solution"
    Kazunari Naka, Akihiro Morita, and Shigeki Kato, J. Chem. Phys., 110(7), 3484-3492 (1999).
  132. "Vibrational Relaxation of Azide Ion in Water: The Role of Intramolecular Charge Fluctuation and Solvent-Induced Vibrational Coupling"
    Akihiro Morita and Shigeki Kato, J. Chem. Phys., 109(13), 5511-5523 (1998).
  133. "Molecular Dynamics Simulation with the Charge Response Kernel: Diffusion Dynamics of Pyrazine and Pyrazinyl Radical in Methanol"
    Akihiro Morita and Shigeki Kato, J. Chem. Phys., 108(16), 6809-6818 (1998).
  134. "Ab Initio Molecular Orbital Theory on Intramolecular Charge Polarization: Effect of Hydrogen Abstraction on the Charge Sensitivity of Aromatic and Nonaromatic Species"
    Akihiro Morita and Shigeki Kato, J. Am. Chem. Soc., 119(17), 4021-4032 (1997).
  135. "Theoretical Study on the Intersystem Crossing Mechanism of a Diradical in Norrish Type II Reactions in Solution"
    Akihiro Morita and Shigeki Kato, J. Phys. Chem., 97(13), 3298-3313 (1993).
  136. "Potential Energy Surfaces and the Spin-Orbit Coupling for H2O2 Photodissociation: The Importance of the Intersystem Crossing for Lambda-Type Polarization of Product OH"
    Akihiro Morita and Shigeki Kato, J. Phys. Chem., 96(3), 1067-1073 (1992).
  137. "Solute-Solvent Interaction in Nonpolar Supercritical Fluid: A Clustering Model and Size Distribution"
    Akihiro Morita and Okitsugu Kajimoto, J. Phys. Chem., 94(16), 6420-6425 (1990).

総説・著書


  1. "議論する力を養う化学教育"
    森田 明弘、「化学と教育」 72(10) 393 (2024).
  2. "水の表面で進む特異な光化学反応 ― 超高速分光と理論計算による解明"
    石山 達也、田原 太平、森田 明弘、「化学」 79(10) 70-71 (2024).
  3. "Correction to: Quadrupole Contributions from Interface and Bulk" (2023)
    in 'Theory of Sum Frequency Generation Spectroscopy,' Akihiro Morita, Lecture Notes in Chemistry, 97, Springer.
  4. "Recent Progress in Simulating Microscopic Ion Transport Mechanisms at Liquid-Liquid Interfaces"
    Akihiro Morita, Ai Koizumi, Tomonori Hirano, J. Chem. Phys. (Perspective), 154, 080901 (2021).
  5. "Theory of Sum Frequency Generation Spectroscopy"
    Akihiro Morita, Lecture Notes in Chemistry, 97, Springer (2018).
  6. "液液界面でのイオン輸送の分子機構"
    森田 明弘、Colloid & Interface Communication, 43(1) 26-28 (2018).
  7. "Computational Analysis of Vibrational Sum Frequency Generation Spectroscopy"
    Tatsuya Ishiyama and Akihiro Morita, Annu. Rev. Phys. Chem., 68, 355-377 (2017).
  8. "Free Energy Calculation"
    Akihiro Morita, in Elsevier Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, J. Reedijk (ed.), Elsevier, Waltham, MA (2017).
  9. "水表面の不均一化学の分子シミュレーション"
    森田 明弘、大気化学研究、36, 036A05 (6 pages) (2016).
  10. "Theoretical Studies of Structures and Vibrational Sum Frequency Generation Spectra at Aqueous Interfaces"
    Tatsuya Ishiyama, Takako Imamura, and Akihiro Morita, Chem. Rev., 114(17), 8447-8470 (2014).
  11. 電極界面におけるイオンの水和殻崩壊過程の時間分解赤外分光観察"
    山方 啓、大澤 雅俊、森田 明弘、Electrochemistry (電気化学および工業物理化学)、82(9), 771-776 (2014).
  12. "液体界面の計算分子科学"
    森田 明弘、Mol. Sci. 8(1), A0070 (9 pages) (2014).
  13. "SFGスペクトルのシミュレーション"
    森田 明弘、 分光研究、 61(6), 236-242 (2012).
  14. "液体界面の分子の状態"
    森田 明弘、 「巨大分子系への計算化学」、CSJカレントレビュー・シリーズ第8巻第14章、日本化学会編、化学同人 (2012).
  15. "溶液反応の速度論"
    森田 明弘、 「大学院講義物理化学（第2版）」第II巻第6章、小谷正博・幸田清一郎・染田清彦・阿波賀邦夫編、東京化学同人 (2011).
  16. "水の界面でイオンの織りなす構造 --- 大気化学からホフマイスター系列まで"
    森田 明弘、 化学、 64(12月号), 68-69 (2009).
  17. "Recent Progress in Theoretical Analysis of Vibrational Sum Frequency Generation Spectroscopy"
    Akihiro Morita and Tatsuya Ishiyama, Phys. Chem. Chem. Phys. (Perspective), 10(38), 5801-5816 (2008).
  18. "界面和周波分光の分子シミュレーション"
    森田 明弘、 アンサンブル、 10(4), 21-24 (2008).
  19. "気相‐エアロゾル相での界面物質移動の解析”
    森田 明弘、 エアロゾル研究、 22(3), 181-186 (2007).
  20. "Molecular Simulation of the Transport of Molecules across the Liquid/Vapor Interface of Water"
    Bruce C. Garrett, Gregory K. Schenter, and Akihiro Morita, Chem. Rev., 106(4), 1355-1374 (2006).
  21. "水の中での分子の動きを追う"
    岡崎 進、森田 明弘、 「分子科学者が挑む12の謎」第10章、分子科学研究所編、化学同人 (2005).
  22. "不均一反応の分子論"
    森田 明弘、 「大気の化学—分子科学によるアプローチ」、特定領域研究「大気化学・燃焼化学」別冊 44-65 (2005).
  23. "表面和周波発生(SFG)スペクトルの非経験的シミュレーションと理論解析"
    森田 明弘、 真空、 47(7), 503-508 (2004).
  24. "気液界面でのmass accommodation --- MD計算と不均質取り込み実験の接点"
    森田 明弘、 アンサンブル、 25(1), 7-9 (2004).
  25. "溶液内化学反応論と溶媒和ダイナミックス"
    森田 明弘、 物性研究、 60(6), 647-676 (1993).

講演

2024

  • A. Morita, Recent Advances in the Theory of Sum Frequency Generation Spectroscopy, Department Seminar, Westlake University, Hangzhou, China, Oct. 18, 2024.
  • A. Morita, Theory and Computational Analysis of Sum Frequency Generation Spectroscopy, Frontier Forum, Ningbo Institute of Materials Technology and Engineering, Ningbo, China, Oct. 17, 2024.
  • A. Morita, Theory and Computational Analysis of Sum Frequency Generation Spectroscopy, Fudan University, Oct. 14, 2024.
  • 〇Shota Takahashi, Atsunori Sakurai, Tatsuto Mochizuki, Koichi Kumagai, Tomonori Hirano, Akihiro Morita, and Toshiki Sugimoto, Pioneering heterodyne-detected tip-enhanced sum-frequency generation spectroscopy for nanoscale detection of molecular orientation, 10th International Symposium on Surface Science (ISSS-10), Kita-Kyushu, Oct. 20-24, 2024.
  • ○山本 遥一，平野 智倫，石山 達也，森田 明弘，鈴木 俊法, フェノール水溶液界面の光電子分光と分子動力学計算(1B11)、 第18回分子科学討論会、京都、2024. 9. 18-21.
  • ○平野 智倫，森田 明弘, 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(2P054), 第18回分子科学討論会、京都、2024. 9. 18-21.
  • ○高橋 翔太，櫻井 敦教，望月 達人，熊谷 紘一，平野 智倫，森田 明弘，杉本 敏樹, ナノスケール分子配向検出を可能にするヘテロダイン検出探針増強和周波発生分光の開拓(3B14), 第18回分子科学討論会、京都、2024. 9. 18-21.
  • ○熊谷 紘一，平野 智倫，高橋 翔太，望月 達人，櫻井 敦教，杉本 敏樹，森田 明弘, Tip-Enhanced SFG 機構の理論解析(3B15), 第18回分子科学討論会、京都、2024. 9. 18-21.
  • ○河合 優哉，平野 智倫，森田 明弘, 界面グランドカノニカルMDにおける溶媒摩擦の解消と多原子分子への応用(3E06), 第18回分子科学討論会、京都、2024. 9. 18-21.
  • Mohammed Ahmed，石山 達也，井上 賢一，○二本柳 聡史，森田 明弘，田原 太平, 酸水溶液表面における水和プロトンのEigen-Zundel変換(3P052), 第18回分子科学討論会、京都、2024. 9. 18-21.
  • ○仲 海渡，平野 智倫，森田 明弘, 多価イオンの液液界面輸送に対するイオンペア形成・解離の役割と触媒機構(3P082), 第18回分子科学討論会、京都、2024. 9. 18-21.
  • ○上村 哲平，平野 智倫，森田 明弘, 水油界面のイオン輸送に対する Water Finger とイオンペア形成の効果(3P099), 第18回分子科学討論会、京都、2024. 9. 18-21.
  • ○櫻井 敦教，高橋 翔太，望月 達人，熊谷 紘一，平野 智倫，森田 明弘，杉本 敏樹, 時間遅延法を用いた自己ヘテロダイン探針増強和周波発生分光による振動共鳴信号の高感度検出(4B15), 第18回分子科学討論会、京都、2024. 9. 18-21.
  • ○鈴木 皓陽，平野 智倫，森田 明弘, 自由エネルギー計算手法に基づいた差スペクトル計算アルゴリズムの開発と実装(4P093), 第18回分子科学討論会、京都、2024. 9. 18-21.
  • 〇高橋翔太，櫻井敦教，望月達人，熊谷紘一，平野智倫，森田明弘，杉本敏樹、ヘテロダイン検出探針増強和周波発生分光法の開拓とナノスケール分子配向測定への応用、第85回応用物理学会秋季学術講演会、新潟、2024. 9. 16-20.
  • A. Morita, SFG Mechanisms from Centrosymmetric Molecules: Benzene and Azide, Telluride Science Research Conference on "Nonlinear Optics at Interfaces", Telluride, CO, USA, Jun. 3-7, 2024.
  • 〇仲 海渡，平野 智倫，森田 明弘、多次元自由エネルギー面計算を用いた液々界面での多価イオンの輸送におけるイオンペア形成・解離の触媒機構解析(P214)、第26回理論化学討論会、つくば、2024. 5. 21-23.
  • 〇上村 哲平、平野 智倫、森田 明弘、自由エネルギー計算に基づく液液界面のイオン輸送に対する水和効果の解析(P304)、第26回理論化学討論会、つくば、2024. 5. 21-23.
  • ○熊谷 紘一、平野 智倫、高橋 翔太，望月 達人，櫻井 敦教，杉本 敏樹、森田 明弘、Tip-Enhanced SFG 分光における和周波発生機構の理論解析 (P314)、第26回理論化学討論会、つくば、2024. 5. 21-23.
  • A. Morita, Computational Analysis of Sum Frequency Generation Spectroscopy, Chinese University of Hong Kong, Hong Kong, May 14, 2024.
  • A. Morita, SFG Mechanisms from Centrosymmetric Molecules Revisited, 2024 International Symposium on Laser Spectroscopy and Photochemistry in Chemistry, Biology and Materials Research, Guilin, China, May 9-12, 2024.

2023

  • A. Morita, Molecular dynamics analysis of structural fluctuation, complexation, and electron transfer reaction at immiscible liquid interfaces, 9th Asian Conference on Colloid and Interface Science, Hong Kong, Dec. 12-15, 2023.
  • 森田 明弘、Fresnel Dispersion in Sum Frequency Generation Spectroscopy, 第9回SFG研究会、東工大、2023. 11. 12-13.
  • ○平野 智倫、森田 明弘、Issues on Boundary and Quadrupole in Calculations of Sum-Frequency Generation Spectra, 第9回SFG研究会、東工大、2023. 11. 12-13.
  • ○熊谷 紘一、平野 智倫、森田 明弘、Evaluation of magnetic dipole components in sum frequency generation spectroscopy, 第9回SFG研究会、東工大、2023. 11. 12-13.
  • 森田 明弘、界面和周波発生分光の理論、名古屋大学集中講義、名古屋、2023. 11. 9-10.
  • 森田 明弘、液体界面の分子科学、名古屋大学講演会、名古屋、2023. 11. 9.
  • 森田 明弘、コンピュータを用いて原子・分子の化学の世界を探る、茨城県立竹園高校、つくば、2023. 11. 7.
  • A. Morita, Microscopic Mechanisms of Ion Transport and Reactions at Liquid-Liquid Interface, Exploration Conference "Interfaces and Mixing in Fluids, Plasmas, Materials", Kavli Institute for Theoretical Physics (KITP), Santa Barbara, USA, Oct. 23-26, 2023.
  • A. Morita, Multidimensional free energy analysis of electron and ion transfer reactions through immiscible liquid interfaces, 6th International Conference on Molecular Simulation (ICMS2023), Taipei, Taiwan, Oct. 6-9, 2023.
  • 森田 明弘、分子シミュレーションと理論化学、第17回分子シミュレーションスクール、岡崎、2023. 9. 27-29.
  • T. Ishiyama, T. Tahara, and 〇A. Morita, Theoretical Elucidation of On-Water Photochemical Reaction of Phenol, The 9th Quantum Science Symposium, ICCMSE 2023, Greece/Online, Spe. 15-16, 2023.
  • ○平野 智倫、森田 明弘、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 (1B12)、第17回分子科学討論会、大阪、2023. 9. 12-15.
  • 石山 達也、田原 太平、○森田 明弘、水表面での特異的に高速なフェノール光化学反応機構の解明 (1B14)、第17回分子科学討論会、大阪、2023. 9. 12-15.
  • ○熊谷 紘一、平野 智倫、森田 明弘、和周波発生分光における磁気双極子成分の評価(1P032)、第17回分子科学討論会、大阪、2023. 9. 12-15.
  • ○上村 哲平、平野 智倫、森田 明弘、水油界面でのイオン輸送効率に対する微量な水の効果の解明 (2P049)、第17回分子科学討論会、大阪、2023. 9. 12-15.
  • ○仲 海渡、平野 智倫、森田 明弘、液々界面での多価イオンの輸送の多次元自由エネルギー計算と反応機構解析 (2P051)、第17回分子科学討論会、大阪、2023. 9. 12-15.
  • ○安達 友揮、平野 智倫、森田 明弘、分子シミュレーションによる界面誘電率の計算と界面張力との関係 (3P087)、第17回分子科学討論会、大阪、2023. 9. 12-15.
  • 〇T. Hirano and A. Morita, Electron Transfer Mechanism at Liquid/Liquid Interfaces Revealed by Multi-Dimensional Free Energy Analyses, International Symposium for the 80th Anniversary of the Tohoku Branch of the Chemical Society of Japan, Sep. 8-10, 2023.
  • A. Morita, Computational Analysis of Sum Frequency Generation Spectroscopy for Exploring Interfaces, GP-Chem Kickoff Symposium, Sendai, Sep. 6-7, 2023.
  • A. Morita, Transport and Reactions at Liquid Interfaces, 5th Conference of Theory and Applications of Computational Chemistry (TACC2023), Sapporo, Sep. 4-9, 2023.
  • T. Hirano, Multidimensional Free Energy Analysis on Mechanism of Electron Transfer at Liquid/Liquid Interfaces, 6-th China-Japan-Korea Workshop on Theoretical and Computational Chemistry (CJK-WTCC-VI), Suwon, Korea, Jun. 20-23, 2023.
  • A. Morita, Boundary Effects in SFG Calculations and Quadrupole Contribution, 2023 International Conference on Nonlinear Optics at Interfaces, Rome, Italy, 2023. 6. 5-9.
  • 〇平野 智倫、森田 明弘、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(1L11)、第25回理論化学討論会、横浜、2023. 5. 16-19.
  • 〇安達 友揮、平野 智倫、森田 明弘、液液界面における界面誘電率のMDシミュレーション(2P09)、第25回理論化学討論会、横浜、2023. 5. 16-19.
  • 平野 智倫, Boundary Effects and Quadrupole Contribution in Calculation of Sum Frequency Generation Spectra, アジア国際シンポジウム－物理化学、日本化学会第103春季年会、野田、2023. 3. 22.

2022

  • 平野 智倫、Importance of Boundary Treatment and Quadrupole Contribution in Calculation of SFG Spectra, SFG ミニシンポジウム、埼玉、2022. 11. 22.
  • A. Morita, Development of Computational Analysis of Difference Vibrational Spectroscopy, The 8th Quantum Science Symposium, ICCMSE 2022 - Computational Chemistry and Computational Physics, Greece/Online, Oct. 26-29, 2022.
  • A. Morita, Theory of Surface Nonlinear Spectroscopy, Lecture of Global Initiatives of Academic Network (GIAN), Indian Institute of Technology Roper, India, Sep. 26-30, 2022.
  • ○平野 智倫、矢澤 尚也、王 琳、森田 明弘、様々な振動差スペクトルに適用可能な効率的計算手法(2E10)、第16回分子科学討論会、横浜、2022. 9. 19-22.
  • ○丸岡 俊政、平野 智倫、矢澤 尚也、森田 明弘、疎水性及び親水性水和殻構造における水の振動スペクトルの理論解析(2E11)、第16回分子科学討論会、横浜、2022. 9. 19-22.
  • 王 琳、【奨励賞受賞講演】有機分子界面の構造と分光の理論的解明(3B05)、第16回分子科学討論会、横浜、2022. 9. 19-22.
  • ○今泉 伊織、平野 智倫、森田 明弘、新規グランドカノニカル分子動力学法による電解質水溶液界面の構造解明(3B13)、第16回分子科学討論会、横浜、2022. 9. 19-22.
  • ○伊藤 大晟、小川 陽菜乃、伊藤 孟、森田 明弘、構造ゆらぎがある気液界面の熱抵抗の分子シミュレーション(4P091)、第16回分子科学討論会、横浜、2022. 9. 19-22.
  • 高橋 英明、電子の運動エネルギー密度汎関数の非局所項の理論開発とその実装(4P092)、第16回分子科学討論会、横浜、2022. 9. 19-22.
  • 森田 明弘、分子シミュレーションと理論化学、第16回分子シミュレーションスクール—基礎から応用まで—、岡崎、2022. 9. 5-7
  • 森田 明弘、分子シミュレーションと分光学で液体界面の分子を探る、第44回教師のための化学教育講座、盛岡／オンライン、2022. 8. 5-6.
  • A. Morita, Recent Theoretical Studies of SFG Spectroscopy and Water Surface, Telluride Science Research Conference on "Nonlinear Optics at Interfaces", Telluride, CO, USA, Jun. 6-10, 2022.
  • 〇平野 智倫、矢澤 尚也、王 琳、森田 明弘、振動差スペクトル計算の劇的な収束加速 (1L08)、第24回理論化学討論会、金沢、2022. 5. 17-20.
  • 石山 達也、田原 太平、〇森田 明弘、水表面におけるフェノール光化学の超高速反応機構の解明 (2P02)、第24回理論化学討論会、金沢、2022. 5. 17-20.
  • 〇今泉 伊織、平野 智倫、森田 明弘、溶液界面の構造解明を目的とした新規グランドカノニカル分子動力学法の開発 (2P31)、第24回理論化学討論会、金沢、2022. 5. 17-20.
  • 森田 明弘、液液界面の構造ゆらぎとその機能の分子科学、第３５期ＣＡＭＭフォーラム 本例会、オンライン、2022. 4. 1.
  • L. Wang, Theoretical Investigation of Dielectric Constant at Monolayer Interfaces by Polarizable Molecular Dynamics Simulation (W1-1vn-02), 日本化学会第102春季年会、アジア国際シンポジウム、オンライン、2022. 3. 23.

2021

  • A. Morita, Development and Application of Quadrupole Susceptibility Analyzer in SFG Spectroscopy, Pacifichem 2021, Symposium "Advanced Understanding of Soft Interfaces at the Molecular-Scale," Honolulu, Hawaii, USA, Dec. 16-21, 2021.
  • A. Morita, New Perspectives on Chemical Reactions and Transport at Liquid-Liquid Interfaces, Pacifichem 2021, Symposium "Exploring Complex and Real Systems using Large-Scale Molecular Dynamics Calculations", Honolulu, Hawaii, USA, Dec. 16-21, 2021.
  • ○K. Inoue, C. Takada, L. Wang, A. Morita, S. Ye, Ozone oxidation of the unsaturated phospholipid monolayer in ambient air revealed by HD-SFG spectroscopy, Pacifichem 2021, Symposium "Advanced Understanding of Soft Interfaces at the Molecular-Scale," Honolulu, Hawaii, USA, Dec. 16-21, 2021.
  • ○L. Wang, A. Morita, Theoretical investigation of sum frequency generation spectroscopy on carbon-based electrode-electrolyte interfaces, Symposium "Advanced Understanding of Soft Interfaces at the Molecular-Scale," Honolulu, Hawaii, USA, Dec. 16-21, 2021.
  • ○T. Hirano, A. Morita, Multidimensional free energy analysis on electron transfer mechanism at the oil/water interface, Pacifichem 2021, Symposium "Advanced Understanding of Soft Interfaces at the Molecular-Scale," Honolulu, Hawaii, USA, Dec. 16-21, 2021.
  • ○L. Wang, A. Morita, Microscopic Dielectric Constant and Sum Frequency Generation Spectroscopy of Monolayer Interfaces Evaluated by Molecular Dynamics Simulation, MRM2021, Yokohama, Japan, Dec. 13-17, 2021.
  • 小泉 愛、田原 寛文、平野 智倫、○森田 明弘、液液界面のイオン通過での触媒の効果と特異性の分子機構（104S）、第35回分子シミュレーション討論会、岡山、2021. 11.29-12.1.
  • 〇山本 遥一、石山 達也、森田 明弘、鈴木 俊法、極端紫外レーザー光電子分光による気液界面の電子状態の研究、原子衝突学会第46回年会、オンライン、 2021. 10. 26-28.
  • 森田 明弘、コンピュータで原子・分子の化学を探る、福島県立磐城高校、2021. 10. 7.
  • 平野 智倫、Microscopic mechanism of charge transfer at the oil/water interface revealed by extensive free energy analysis、物理化学コロキウム、化学系学協会東北大会、郡山、2021. 10. 2.
  • ○今泉 伊織、平野 智倫、内藤 暢也、森田 明弘、溶液系界面を対象とするグランドカノニカル分子動力学法の開発 (1P083)、第15回分子科学討論会、札幌、2021. 9. 18-21.
  • ○市川 怜奈、小泉 愛、平野 智倫、森田 明弘、有機溶媒界面のイオン輸送反応における微量の水の触媒効果 (2P040)、第15回分子科学討論会、札幌、2021. 9. 18-21.
  • ○平野 智倫、森田 明弘、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 (2P044)、第15回分子科学討論会、札幌、2021. 9. 18-21.
  • ○王 琳、村田 凌、井上 賢一、叶 深、森田 明弘、Quantitative determination of Fresnel factor dispersion in the analysis of sum-frequency generation spectroscopy (3B14)、第15回分子科学討論会、札幌、2021. 9. 18-21.
  • ○細谷 毅、王 琳、森田 明弘、電子共鳴を含むSFG計算の開発とキラル系への応用 (3B15)、第15回分子科学討論会、札幌、2021. 9. 18-21.
  • ○Ahmed Mohammed, Tatsuya Ishyama，Ken-ichi Inoue，Satoshi Nihonyanagi，Akihiro Morita，Tahei Tahara, Zundel-Eigen transformation of hydrated proton at the air-water interface revealed by HD-VSFG spectroscopy and MD simulation (4B07), 第15回分子科学討論会、札幌、2021. 9. 18-21.
  • ○山本 遥一、石山 達也、森田 明弘、鈴木 俊法、極端紫外レーザー光電子分光による気液界面の電子状態の研究 (4B08)、 第15回分子科学討論会、札幌、2021. 9. 18-21.
  • ○小泉 愛、岸本 直樹、高橋 英明、森田 明弘、油水界面を反応場とする相間移動触媒反応の反応機構解析 (4B09)、第15回分子科学討論会、札幌、2021. 9. 18-21.
  • ○丸岡 俊政、平野 智倫、、矢澤 尚也、森田 明弘、疎水性水和殻構造における水の振動スペクトルの理論解析 (4P081)、第15回分子科学討論会、札幌、2021. 9. 18-21.
  • ○矢澤 尚也、平野 智倫、、森田 明弘、振動差スペクトル計算の並列実装による効率化と水/電極表面への応用 (4P087)、第15回分子科学討論会、札幌、2021. 9. 18-21.
  • 森田 明弘、分子シミュレーションと理論化学、第15回分子シミュレーションスクール—基礎から応用まで—、岡崎、2021. 9. 7-9
  • A. Morita, A. Koizumi, and T. Hirano, Microscopic Mechanisms of Facilitated Ion Transfer and Electron Transfer Reaction at Liquid-Liquid Interface, The 7th Quantum Science Symposium, ICCMSE 2021 -- Computational Chemistry and Computational Physics, online, Sep. 4-7, 2021.
  • ○平野 智倫、森田 明弘、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、第23回理論化学討論会、オンライン、2021. 5.13-15.

2020

  • ○細谷 毅、王 琳、森田 明弘、電子共鳴によるキラルSFGのバルク・界面成分の理論解析、分子科学会オンライン討論会、2020. 9. 14-17.
  • A. Morita, Development of Qsac Program to Evaluate Whole SFG Susceptibility, Telluride Science Research Conference on "Nonlinear Optics at Interfaces", Web online (Telluride, CO, USA), Jun. 8-12, 2020.

2019

  • 王 琳、Electrode/Electrolyte Interfaces: Observation and Analysis, ESICB電子論検討会、浜松、2019. 12. 23-24.
  • 森田 明弘、液体界面の構造と機能を解明する計算分子科学、スーパーコンピューターワークショップ、岡崎、2019. 12. 19-20.
  • 〇L. Wang, S. Nihonyanagi, K. Inoue, K. Nishikawa, A. Morita, S. Ye, and T. Tahara, Microscopic Structure of Electrode/electrolyte Interface Probed by Molecular Simulation and Sum Frequency Generation Spectroscopy (FI-13-P24), Materials Research Meeting (MRM) 2019, Yokohama, Japan, Dec. 10-14, 2019.
  • 森田 明弘、原子・分子が動いていく化学、ぶらりがく for you、仙台、2019. 12. 14.
  • ○平野 智倫、森田 明弘、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 (234P)、第33回分子シミュレーション討論会、名古屋、2019. 12.9-11.
  • ○小泉 愛、伊藤 孟、平野 智倫、森田 明弘、ジクロロメタンの分子モデル改良とその分子動力学シミュレーションにおけるパフォーマンス (274P)、第33回分子シミュレーション討論会、名古屋、2019. 12.9-11.
  • ○L. Wang and A. Morita, Molecular Dynamics Simulation and Sum Frequency Generation Study on the Structural Order of Langmuir Monolayers, The 5th International Conference on Molecular Simulation, Jeju, Korea, Nov. 3-6, 2019.
  • ○高橋 英明、鈴岡 大樹、森田 明弘、大規模QM/MM 法によるPSIIマンガンクラスターの酸化自由エネルギー解析 (2O07)、日本コンピュータ化学会2019秋季年会、広島、2019. 10. 24-25.
  • 森田 明弘、和周波発生分光の理論と溶液界面の構造解明への応用、日本化学会青森地区講演会、弘前、2019. 10. 11.
  • A. Morita, Theory and Computational Analysis of Vibrational Sum Frequency Generation Spectroscopy, Changchun Institute of Applied Chemistry, Changchun, China, Sep. 30, 2019.
  • L. Wang, Microscopic Investigation of Organic Interfaces, Jilin Normal University, Changchun, China, Sep. 29, 2019.
  • A. Morita, Theory and Computational Analysis of Vibrational Sum Frequency Generation Spectroscopy, Jilin Normal University, Changchun, China, Sep. 29, 2019.
  • 王 琳、Understanding Interfacial Molecular Structure through Computational Analysis of Sum Frequency Generation Spectroscopy, 化学系学協会東北大会、山形、2019. 9. 21-22.
  • ○王 琳、二本柳 聡史、井上 賢一、西川 慶、森田 明弘、叶 深、田原 太平、Effect of Frequency-dependent Fresnel Factor on the Lineshape of Vibrational Sum Frequency Generation Spectroscopy (1P051)、第13回分子科学討論会、名古屋、2019. 9. 17-20.
  • ○佐々木 伸一、奥野 将成、石山 達也、森田 明弘、石橋 孝章、空気／陽・陰イオン性混合界面活性剤水溶液界面の水分子のHD-VSFG分光 (2B05)、第13回分子科学討論会、名古屋、2019. 9. 17-20.
  • ○伊藤 孟、小泉 愛、平野 智倫、内藤 暢也、森田 明弘、液液界面のイオン輸送における標準速度定数の評価 (2P020)、第13回分子科学討論会、名古屋、2019. 9. 17-20.
  • ○高橋 英明、鈴岡 大樹、森田 明弘、QM/MM-ER法によるPSIIマンガンクラスターの光酸化の自由エネルギー解析 (2P087)、第13回分子科学討論会、名古屋、2019. 9. 17-20.
  • ○平野 智倫 、森田 明弘、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 (3B15)、第13回分子科学討論会、名古屋、2019. 9. 17-20.
  • ○小泉 愛、田原 寛文、平野 智倫、岸本 直樹、森田 明弘、油水界面における相間移動触媒の微視的研究 (3B17)、第13回分子科学討論会、名古屋、2019. 9. 17-20.
  • ○森 渉、平野 智倫、王 琳、森田 明弘、和周波発生分光におけるバルク四重極効果の汎用計算プログラムの開発 (3P057)、第13回分子科学討論会、名古屋、2019. 9. 17-20.
  • ○佐藤 大和、平野 智倫、王 琳、叶 深、森田 明弘、ジメチルスルホキシド溶液/グラフェン電極界面における和周波発生分光と理論解析 (4P055)、第13回分子科学討論会、名古屋、2019. 9. 17-20.
  • ○内藤 暢也、森田 明弘、溶液界面に適用されるグランドカノニカル分子動力学法の開発 (4P103)、第13回分子科学討論会、名古屋、2019. 9. 17-20.
  • 森田 明弘、分子シミュレーションと理論化学、第13回分子シミュレーションスクール―基礎から応用まで―、岡崎、2019. 9. 2-5.
  • ○N. Naito, A. Morita, Development of Grand Canonical Molecular Dynamics Method Applied to Solution Interfaces, Tohoku University's Chemistry Summer School 2019, Sendai, Aug. 27-28.
  • A. Morita, Ion Transport Mechanisms through Liquid-Liquid Interfaces, Gordon Research Conference on Chemistry and Physics of Liquids, Holderness, NH, USA, Aug. 4-9, 2019.
  • A. Morita, Dynamics and Kinetics at Liquid-Liquid Interfaces, CPMD Meeting 2019, Lausanne, Switzerland, Jul. 22-24, 2019.
  • A. Morita, Microscopic Structure and Dynamics at Water-Oil Interfaces, CECAM Workshop on "Dynamics of Water in Complex Environments, Bridging the Gap between Molecular and Mesoscopic Interfaces", Paris, France, Jul. 15-17, 2019.
  • A. Morita, Effect of Fresnel Dispersion in SFG Spectroscopy, The 2019 International Workshop on Nonlinear Optics at Interfaces, Shanghai, China, Jun. 10-14, 2019.
  • A. Morita, Molecular Dynamics Analysis of Catalytic Effect on Ion Transport through Liquid-Liquid Interface, 5th Computational Chemistry Symposium, ICCMSE2019, Greece, May 1-5, 2019.
  • A. Morita, Theory and Computational Analysis of Liquid Interfaces and Spectroscopy, University of Cambridge, UK, Apr. 30, 2019.
  • ○T. Joutsuka and A. Morita, Heterogeneity at Amorphous Silica/Water Interface: Molecular Dynamics Simulations of Sum Frequency Generation Spectroscopy, 日本化学会第99春季年会、神戸、2019. 3. 16-19.
  • ○佐々木 伸一、奥野 将成、石山 達也、森田 明弘、石橋 孝章、HD-VSFG分光法による空気／陽・陰イオン性混合界面活性剤水溶液界面の水分子の配向の研究、第4回TIA光・量子計測シンポジウム、つくば、2018. 3. 8.
  • ○S. Sasaki, M. Okuno, T. Ishiyama, A. Morita, T. Ishibashi, Orientations of Water Molecules and Their Alkyl Chain Length Dependence at Air/Catanionic Surfactant Solution Interfaces using HD-VSFG Spectroscopy, MANA International SYmposium 2019, Tsukuba, Mar. 4-6, 2019.
  • 森田 明弘、Mechanism of Ion Transport through Water-Oil Interface、分子研研究会 "Water at Interfaces 2018"、岡崎、2019. 1. 15-17.

2018

  • ○平野 智倫、森田 明弘、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 (113P) 、第32回分子シミュレーション討論会、つくば、2018. 11. 28-30.
  • ○吉田 俊将、城塚 達也、森田 明弘、石山 達也、アルコール単分子膜/水溶液界面での酸解離に関する分子動力学シミュレーション (131P) 、第32回分子シミュレーション討論会、つくば、2018. 11. 28-30.
  • ○岸中 翔、森田 明弘、石山 達也、アクリレートポリマー/水界面における分子構造と振動和周波スペクトルの分子動力学シミュレーション (205S+210P) 、第32回分子シミュレーション討論会、つくば、2018. 11. 28-30.
  • ○王 琳、森田 明弘、Detecting degree of structural order of Langmuir monolayers through molecular simulation analysis of sum frequency generation spectroscopy (206S) 、第32回分子シミュレーション討論会、つくば、2018. 11. 28-30.
  • A. Morita, Microscopic Structure and Dynamics at Liquid-Liquid Interfaces, Melbourne-Tohoku Workshop: combining Materials Science and Chemistry, Melbourne, Australia, Nov. 8-9, 2018.
  • ○T. Joutsuka, K. Obata and A. Morita, Molecular Dynamics Simulations of Amorphous Silica/Water Interfaces, EMLG/JMLG Meeting 2018, Nagoya, Japan, Nov. 5-8, 2018.
  • A. Morita, Theory of χ(3) Effect in Sum Frequency Generation Spectroscopy, 8th SFG Symposium, Saitama, Japan, Oct. 26-27, 2018.
  • 森田 明弘、分光計測と理論計算による電極‐電解質溶液界面の構造と被膜形成の研究、京都大学ESICB第13回公開シンポジウム、京都、2018. 10. 24.
  • 森田 明弘、理論と実験計測の共同による溶液界面の分子科学の研究の展開、愛媛大学セミナー、松山、2018. 9. 21.
  • 森田 明弘、溶液内の化学反応論、愛媛大学集中講義、松山、2018. 9. 20-21.
  • 森田 明弘、液体界面の計算分子科学と分光計測、第22回分子シミュレーション夏の学校、福井、2018. 9. 12-14.
  • ○田原 寛文、Wang Lingjian、平野 智倫、小泉 愛、森田 明弘、液液界面でのイオン輸送におけるイオンペア形成効果の微視的解明 (1P052)、第12回分子科学討論会、福岡、2018. 9. 10-13.
  • ○城塚 達也、小幡 恭子、森田 明弘、アモルファスシリカ・水界面の分子動力学シミュレーション (1P092)、第12回分子科学討論会、福岡、2018. 9. 10-13.
  • ○内藤 暢也、田原 寛文、森田 明弘、溶液系の気液界面におけるグランドカノニカル分子動力学法の開発 (1P101)、第12回分子科学討論会、福岡、2018. 9. 10-13.
  • 高橋 英明、○劉 斯璋、森田 明弘、M/MM法による水表面における酢酸の酸性度の自由エネルギー解析 (1P109)、第12回分子科学討論会、福岡、2018. 9. 10-13.
  • ○岸中 翔、森田 明弘、石山 達也、分子動力学シミュレーションによるアクリレートポリマー/水界面の分子構造の解明 (2B09)、第12回分子科学討論会、福岡、2018. 9. 10-13.
  • ○王 琳、森田 明弘、Identification of ordered and disordered Langmuir films through computational sum frequency generation spectroscopy (2B12) 、第12回分子科学討論会、福岡、2018. 9. 10-13.
  • ○小泉 愛、田原 寛文、平野 智倫、Wang Lingjian、森田 明弘、油水界面における塩基触媒反応の理論研究 (2P055)、第12回分子科学討論会、福岡、2018. 9. 10-13.
  • ○平野 智倫、Wang Lingjian、田原 寛文、小泉 愛、森田 明弘、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 (2P099)、第12回分子科学討論会、福岡、2018. 9. 10-13.
  • ○髙橋 英明、森田 明弘、拡張型QM/MM法の方法論開発とその性能評価 (3E11)、第12回分子科学討論会、福岡、2018. 9. 10-13.
  • ○森 渉、近藤 正人、奥野 将成、王 琳、石橋 孝章、森田 明弘、和周波発生分光におけるバルク四重極効果の検討 (3P055)、第12回分子科学討論会、福岡、2018. 9. 10-13.
  • ○吉田 俊将、森田 明弘、石山 達也、分子動力学シミュレーションによるアルコール単分子膜/水溶液界面での酸解離定数の決定 (3P111)、第12回分子科学討論会、福岡、2018. 9. 10-13.
  • ○王 聴鏡、吉川 信明、森田 明弘、自由エネルギー計算による親水性イオンの界面間輸送プロセスにおける水和効果の究明 (4P057)、第12回分子科学討論会、福岡、2018. 9. 10-13.
  • 森田 明弘、コンピュータシミュレーションと理論化学、第12回分子シミュレーションスクール—基礎から応用まで—、岡崎、2018. 9. 3-6.
  • ○T. Hirano, L.-J. Wang, H. Tahara, A. Koizumi, and A. Morita, Theoretical Analysis on Mechanism of Electron Transfer at Oil/Water Interfaces by Multidimensional Free Energy Calculations, Tohoku University's Chemistry Summer School 2018, Sendai, Aug. 27-28, 2018.
  • A. Morita, Recent Topics on Theoretical Analysis of Sum Frequency Generation Spectroscopy, Gordon Research Conference on Vibrational Spectroscopy, Biddeford, ME, USA, Jul. 29-Aug. 3, 2018.
  • A. Morita, Theoretical Analysis of Structure and Dynamics at Liquid-Liquid Interfaces, Telluride Science Research Conference on "Hydrophobicity: From Theory, to Simulation, to Experiment", Telluride, CO, USA, Jul. 17-21, 2018.
  • A. Morita, Analysis of SFG Spectra of Liquid Interfaces, Telluride Science Research Conference on "Nonlinear Optics at Interfaces", Telluride, CO, USA, Jun. 11-15, 2018.
  • ○高橋 英明、神戸 宏之、森田 明弘、拡張型QM/MM法の方法論開発とその応用、第21回理論化学討論会、岡崎、2018. 5. 15-17.
  • 森田 明弘、実験と理論計算による溶液界面の分子科学の進展、ワークショップ「複合系の理論化学・計算化学：最近の研究状況と展望」、京都、2018. 4. 21.
  • 高橋 英明、QM/MM法と統計力学によるPSIIマンガンクラスターの酸化自由エネルギーの解析、ワークショップ「複合系の理論化学・計算化学：最近の研究状況と展望」、京都、2018. 4. 21.
  • ○城塚 達也、森田 明弘、Ion Effects on Third-Order Susceptibility in Sum Frequency Generation Spectroscopy of Aqueous Salt Solutions, 日本化学会第98春季年会、船橋、2018. 3. 20-23.
  • ○杉本 敏樹、大槻 友志、加藤 史明、石山 達也、森田 明弘、渡邊 一也、松本 吉泰、Structural Transition and Acceleration of H-D Exchange Reaction at Topmost Surface of Hexagonal Ice (0001), 日本化学会第98春季年会、船橋、2018. 3. 20-23.
  • 森田 明弘、分子シミュレーションによる気液界面の構造と反応の研究、「自然科学における階層と全体」シンポジウム、名古屋、2018. 2. 19-20.

2017

  • 城塚 達也、和周波発生分光法による三次感受率の効果：水の分子動力学シミュレーションによる研究、第13回若手研究者による先端的レーザー分光シンポジウム、埼玉、2017. 12. 2.
  • ○L.Wang, T. Ishiyama and A. Morita, Unified assignment method of alkyl C-H vibrational spectra: molecular dynamics study of ethanol, 第31回分子シミュレーション討論会、金沢、2016. 11. 29-12. 1.
  • ○城塚 達也、高瀬 航輝、森田 明弘、固液界面におけるイオン移動と振動差スペクトルの分子動力学シミュレーション、第31回分子シミュレーション討論会、金沢、2016. 11. 29-12. 1.
  • ○吉田 俊将、森田 明弘、石山 達也、アルコール単分子膜/水溶液界面でのイオン分布、第31回分子シミュレーション討論会、金沢、2016. 11. 29-12. 1.
  • ○岸中 翔、八十島 亘宏、森田 明弘、石山 達也、アクリレートポリマー/水界面における水の水素結合構造、第31回分子シミュレーション討論会、金沢、2016. 11. 29-12. 1.
  • ○石山 達也、森田 明弘、氷表面における環構造の温度依存性、第31回分子シミュレーション討論会、金沢、2016. 11. 29-12. 1.
  • 森田 明弘、界面分光の計算と実験による電極‐溶液界面研究、ESCIB電子論 second kick-off 会議、京都、2017. 11. 13-14.
  • A. Morita, Structure and Reactivity of Aqueous Interfaces, 3rd International Workshop on Heterogeneous Kinetics Related to Atmospheric Aerosols, Shanghai, Oct. 10-11, 2017.
  • 王 琳、Molecular Dynamics and Sum Frequency Generation Spectroscopy Study of Electrode-electrolyte Interface、次世代ESICBセミナー2017-2、京都、2017. 10. 3.
  • ○城塚 達也、平野 智倫、Michiel Sprik、森田 明弘、和周波発生分光法における三次感受率の効果： 水の分子動力学シミュレーションによる研究 (1E07)、第11回分子科学討論会、仙台、2017. 9. 15-18.
  • ○王 琳、石山 達也、森田 明弘、Unified Assignment of Alkyl C-H Vibrational Spectra of Ethanol by Molecular Dynamics Simulation (1E08)、第11回分子科学討論会、仙台、2017. 9. 15-18.
  • ○Lingjian Wang、吉川 信明、森田 明弘、液液界面で起こるイオン輸送過程の水和状態に関する研究 (1E10)、第11回分子科学討論会、仙台、2017. 9. 15-18.
  • ○石山 達也、大槻 友志、杉本 敏樹、森田 明弘、渡邉 一也、松本 吉泰、氷表面の分子動力学シミュレーション：フリーOH振動の和周波発生スペクトル強度と表面環構造との関係について (2B09)、 第11回分子科学討論会、仙台、2017. 9. 15-18.
  • ○平野 智倫、杉林 敏大、田原 寛文、森田 明弘、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 (3P100)、第11回分子科学討論会、仙台、2017. 9. 15-18.
  • ○高橋 英明、海野 悟、森田 明弘、QM/MM法による水溶液中のATP加水分解反応の自由エネルギー解析 (3P113)、第11回分子科学討論会、仙台、2017. 9. 15-18.
  • ○田原 寛文、森田 明弘、液液界面における Facilitated Ion Transfer の微視的機構 (4P020)、第11回分子科学討論会、仙台、2017. 9. 15-18.
  • ○岸中 翔、八十島 亘弘、森田 明弘、石山 達也、アクリレート系高分子と水界面の分子動力学シミュレーション (4P044)、第11回分子科学討論会、仙台、2017. 9. 15-18.
  • 城塚 達也、分子シミュレーションによる界面分光理論の発展、新学術領域ワークショップ「若手研究者が描く分子理論の未来」、仙台、2017. 9. 14.
  • 森田 明弘、コンピュータシミュレーションと理論化学、第11回分子シミュレーションスクール、岡崎、2017. 9. 4-7.
  • ○Lingjian Wang, Nobuaki Kikkawa, and Akihiro Morita, Distribution of hydrated ion clusters near liquid-liquid interface, Tohoku University's Chemistry Summer School 2017, Sendai, Aug. 21-22, 2017.
  • A. Morita, Recent Topics in Theoretical Analysis of Sum Frequency Generation Spectroscopy, The 2017 International Workshop on Nonlinear Optics at Interfaces, Dalian, China, Jul. 24-28, 2017.
  • 〇H. Takahashi, S. Umino, A. Morita, Free Energy Analyses for the Hydrolysis of ATP in Water Solution Through Quantum Chemical Simulations, 1st International Symposium on Fuels and Energy, Hiroshima, Japan, Jul. 10-12, 2017.
  • A. Morita, Theory of structure and functions of liquid and polymer interfaces, KAKENHI International Symposium on "Studying the Function of Soft Molecular Systems", Sapporo, Jun. 26-28, 2017.
  • 〇T. Joutsuka, T. Hirano, M. Sprik, A. Morita, Effect of Third-Order Susceptibility in Sum Frequency Generation Spectroscopy: Molecular Dynamics Study in Liquid Water, KAKENHI International Symposium on "Studying the Function of Soft Molecular Systems", Sapporo, Jun. 26-28, 2017.
  • A. Morita, Theory and Efficient Computation of Difference Vibrational Spectroscopy, 9th International Conference on Advanced Vibrational Spectroscopy (ICAVS2017), Victoria, BC, Canada, Jun. 11-16, 2017.
  • 森田 明弘、コンピュータで原子・分子の化学を探る、岩手県立花巻北高校、花巻、2017. 6. 6.
  • 〇城塚 達也、平野 智倫、M. Sprik、森田 明弘、和周波発生分光法における三次の感受率の効果：水の分子動力学シミュレーションによる研究、第20回理論化学討論会、京都、2017. 5. 16-18.
  • A. Morita, Molecular Theory of Ion Transport at Oil-Water Interfaces, 13th International Conference of Computational Methods in Sciences and Engineering (ICCMSE2017), Thessaloniki, Greece, Apr. 21-25, 2017.
  • 森田 明弘、液体界面の分子科学、日本物理学会第72回年次大会、大阪、2017. 3. 17-20.
  • 〇森田 明弘、〇田原 太平、実験と理論の協奏で拓く水表面の和周波分光研究の最先端、日本化学会第97春季年会シンポジウム「複雑系のための分子科学−理論、計測、合成の連携で拓く柔らかな分子の新機能」、横浜、2017. 3. 16-19.
  • 森田 明弘、液体界面の分子科学、お茶の水女子大学セミナー、東京、2017. 1. 25.
  • 森田 明弘、溶液内の化学反応論、お茶の水女子大学集中講義、東京、2017. 1. 24-25.
  • 森田 明弘、界面分光の計算と実験による電極‐溶液界面研究、ESICB電池・電子論検討会、京都、2017. 1. 11.

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受賞等

Last modified October 28, 2024 by A. Morita

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