Original Papers

Books/Reviews

Lectures (International)

Original Papers

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1. "Gas/Liquid Interface for Aqueous Solutions of Phenol, Sodium Phenolate, 4-Nitrophenol and Aniline: pKa, Surface Potential and Polarization"
   
2. "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).
3. "Local Field Effects of Quadrupole Contributions on Sum Frequency Generation Spectroscopy"
   Tomonori Hirano and Akihiro Morita, J. Chem. Phys., in press (2024).
4. "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).
5. "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).
6. "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).
7. "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).
8. "Boundary Effects and Quadrupole Contribution in Sum Frequency Generation Spectroscopy"
   Tomonori Hirano and Akihiro Morita, J. Chem. Phys., 156, 154109 (12 pages) (2022).
9. "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)
10. "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).
11. "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).
12. "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).
13. "Exploration of Gas-Liquid Interfaces of Liquid Water and Methanolusing Extreme Ultraviolet Laser Photoemission Spectroscopy"
    Yoichi Yamamoto, Tatsuya Ishiyama, Akihiro Morita, and Toshinori Suzuki, J. Phys. Chem. B, 125(37), 10514-10526 (2021).
14. "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).
15. "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").
16. "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).
17. "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).
18. "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).
19. "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).
20. "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).
21. "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).
22. "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).
23. "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).
24. "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).
25. "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).
26. "Nonlinear Spectroscopy and Interfacial Structure and Dynamics"
    Alexander Benderskii and Akihiro Morita, J. Chem. Phys., 151, 150401 (2019).
27. "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).
28. "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).
29. "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).
30. "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).
31. "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).
32. "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).
33. "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).
34. "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).
35. "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).
36. "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).
37. "Singularity-Free Constraint on Molecular Dynamics beyond Lagrange Multiplier"
    Tomonori Hirano, Lin Wang, and Akihiro Morita, Mol. Sim., 44(12) 965-972 (2018).
38. "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).
39. "A Simple and Efficacious Solution to the Constrained QM/MM Simulations"
    Hideaki Takahashi, Hiroyuki Kambe, and Akihiro Morita, J. Chem. Phys., 148, 134119 (2018).
40. "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).
41. "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).
42. "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)
43. "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).
44. "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).
45. "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).
46. "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).
47. "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).
48. "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).
49. "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).
50. "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).
51. "Efficient Computation of Difference Vibrational Spectra in Isothermal-Isobaric Ensemble"
    Tatsuya Joutsuka and Akihiro Morita, J. Phys. Chem. B, 120(43), 11229-11238 (2016).
52. "Improved Theory of Difference Vibrational Spectroscopy and Application to Water"
    Tatsuya Joutsuka and Akihiro Morita, J. Chem. Theory Comput., 12(10), 5026-5036 (2016).
53. "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).
54. "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).
55. "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).
56. "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).
57. "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).
58. "Hydrogen Bonding Structure at Zwitterionic Lipid/Water Interface"
    Tatsuya Ishiyama, Daichi Terada, and Akihiro Morita, J. Phys. Chem. Lett. 7(2), 216-220 (2016).
59. "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).
60. "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).
61. "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).)
62. "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).
63. "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).
64. "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).
65. "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).
66. "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).
67. "A Direct Evidence of Vibrationally Delocalized Response at Ice Surface"
    Tatsuya Ishiyama and Akihiro Morita, J. Chem. Phys., 141, 18C503 (4 pages) (2014).
68. "Theory and Efficient Computation of Differential Vibrational Spectra"
    Suguru Sakaguchi, Tatsuya Ishiyama, and Akihiro Morita, J. Chem. Phys., 140, 144109 (13 pages) (2014).
69. "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).
70. "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).
71. "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).
72. "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).
73. "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, Maki Kawai, Surf. Sci., 617, 1-9 (2013).
74. "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).
75. "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).
76. "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).
77. "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).
78. "Origin of Vibrational Spectroscopic Response at Ice Surface"
    Tatsuya Ishiyama, Hideaki Takahashi, and Akihiro Morita, J. Phys. Chem. Lett., 3(20), 3001-3006 (2012).
79. "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).
80. "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).
81. "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).
82. "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).
83. "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).
84. "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).
85. "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).
86. "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).
87. "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).
88. "Nonlinear Vibrational Spectroscopic Studies on the Ionic Liquid([C_nmim]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).
89. "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).
90. "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).
91. "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).
92. "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).
93. "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).
94. "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).
95. "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).
96. "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).
97. " '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).
98. "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).)
99. "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).
100. "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).
101. "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).
102. "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).
103. "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).
104. "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).
105. "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).
106. "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).
107. "Improved Computation of Sum Frequency Generation Spectrum of Water Surface"
     Akihiro Morita, J. Phys. Chem. B, 110(7), 3158-3163 (2006).
108. "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.
109. "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).
110. "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).
111. "Toward Computation of Bulk Quadrupolar Signals in Vibrational Sum Frequency Generation Spectroscopy"
     Akihiro Morita, Chem. Phys. Lett., 398(4-6), 361-366 (2004).
112. "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).
113. "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).
114. "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).
115. "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).
116. "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).
117. "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).
118. "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).
119. "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).
120. "Water Polarizability in Condensed Phase: Ab Initio Evaluation by Cluster Approach"
     Akihiro Morita, J. Comp. Chem., 23(15), 1466-1471 (2002).
121. "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).
122. "The Charge Response Kernel with Modified Electrostatic Potential Charge Model"
     Akihiro Morita and Shigeki Kato, J. Phys. Chem. A, 106(15), 3909-3916 (2002).
123. "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).
124. "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).
125. "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).
126. "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).
127. "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).
128. "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).
129. "An ab initio Analysis on Medium Perturbation on Molecular Polarizabilities"
     Akihiro Morita and Shigeki Kato, J. Chem. Phys., 110(24), 11987-11998 (1999).
130. "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).
131. "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).
132. "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).
133. "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).
134. "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).
135. "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).
136. "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).
137. "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).
138. "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).

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Books/Reviews

1. "Correction to: Quadrupole Contributions from Interface and Bulk" (2023)
   in 'Theory of Sum Frequency Generation Spectroscopy,' Akihiro Morita, Lecture Notes in Chemistry, 97, Springer.
2. "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).
3. "Theory of Sum Frequency Generation Spectroscopy"
   Akihiro Morita, Lecture Notes in Chemistry, 97, Springer (2018).
4. "Computational Analysis of Vibrational Sum Frequency Generation Spectroscopy"
   Tatsuya Ishiyama and Akihiro Morita, Annu. Rev. Phys. Chem., 68, 355-377 (2017).
5. "Free Energy Calculation"
   Akihiro Morita, in Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, J. Reedijk (ed.), Elsevier, Waltham, MA (2017).
6. "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).
7. "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).
8. "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).

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Lectures (International)

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.
• ○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, Japan, Oct. 20-24, 2024.
• 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.
• 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.
• L. Wang, R. Murata, K. Inoue, S. Ye, and ○A;. Morita, Fresnel Dispersion in Sum Frequency Generation Spectroscopy, 9th SFG Workshop, Tokyo Tech, Tokyo, Nov. 12-13, 2023.
• ○T. Hirano and A. Morita, Issues on Boundary and Quadrupole in Calculations of Sum-Frequency Generation Spectra, 9th SFG Workshop, Tokyo Tech, Tokyo, Nov. 12-13, 2023.
• ○K. Kumagai, T. Hirano, and A. Morita, Evaluation of magnetic dipole components in sum frequency generation spectroscopy, 9th SFG Workshop, Tokyo Tech, Tokyo, Nov. 12-13, 2023.
• 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.
• 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, Sep. 15-16, 2023.
• A. Morita, Computational Analysis of Sum Frequency Generation Spectroscopy for Exploring Interfaces, GP-Chem Kickoff Symposium, Sendai, Sep. 6-7, 2023.
• ○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, 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.
• T. Hirano, Boundary Effects and Quadrupole Contribution in Calculation of Sum Frequency Generation Spectra, Asian International Symposium on Physical Chemistry, The 103rd CSJ Annual Meeting, Noda, Mar. 22, 2023.

2022

• T. Hirano, Importance of Boundary Treatment and Quadrupole Contribution in Calculation of SFG Spectra, Saitama SFG Colloquium, Saitama, Nov. 22, 2022.
• 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.
• 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.

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.
• 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.

2020

• 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

• ○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.
• ○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.
• 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.
• ○N. Naito and 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.
• ○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.
• A. Morita, Mechanism of Ion Transport through Water-Oil Interface, IMS Symposium "Water at Interfaces 2018", Okazaki, Japan, Jan. 15-17, 2019.

2018

• 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.
• 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.

2017

• A. Morita, Structure and Reactivity of Aqueous Interfaces, 3rd International Workshop on Heterogeneous Kinetics Related to Atmospheric Aerosols, Shanghai, Oct. 10-11, 2017.
• ○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.
• ○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.
• ○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.
• 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.

2016

• A. Morita, Microscopic Structure and Uptake Kinetics at Aqueous Surfaces, 2nd International Workshop on Heterogeneous Kinetics Related to Atmospheric Aerosols, Tsukuba, Japan, Nov. 12-13, 2016.
• A. Morita, Computational Analysis of Sum Frequency Generation Spectroscopy, invited lecture at Fudan University, Shanghai, China, Oct. 27, 2016.
• N. Kikkawa, L.-J. Wang, and ○A. Morita, Ion Transport Mechanism at Liquid-Liquid Interface, 4th International Conference on Molecular Simulation (ICMS2016), Shanghai, China, Oct. 24-26, 2016.
• ○L. Wang and A. Morita, Microscopic Structure of Organic Electrolyte Interface by Molecular Dynamics and Sum Frequency Generation Spectroscopy, 4th International Conference on Molecular Simulation (ICMS2016), Shanghai, China, Oct. 24-26, 2016.
• ○D. Terada, T. Ishiyama, and A. Morita, Comparison of Hydrogen Bonding Structure of Water near Lipid and Surfactant Monolayer Interfaces by Molecular Dynamics Simulation, 4th International Conference on Molecular Simulation (ICMS2016), Shanghai, China, Oct. 24-26, 2016.
• ○T. Ishiyama and A. Morita, Molecular Dynamics Simulation of Time-Resolved Vibrational Spectroscopy at Air/Water Interface, 4th International Conference on Molecular Simulation (ICMS2016), Shanghai, China, Oct. 24-26, 2016.
• ○T. Joutsuka and A. Morita, Efficient Computational Algorithm of Vibrational Difference Spectra under Control of Temperature and Pressure, International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems (MSCRS2016), Nagoya, Japan, Oct. 10-13, 2016.
• ○I. I. Rzeznicka, H. Horino, A. Morita, T. Yamada, H. Fukumura, and M. Kawai, Tip-enhanced spectroscopy in characterization of 2D thin films Asian Conference on Nanoscience & Nanotechnology (AsiaNANO) 2016, Sapporo, Japan, Oct. 10-13, 2016.
• A. Morita, Theoretical Analysis of SFG Spectroscopy --- Recent Topics, Telluride Science Research Conference on Nonlinear Optics at Interfaces, Telluride, CO, USA, Jun. 21-25, 2016.
• ○L. Wang and A. Morita, Computational SFG analysis of organic molecules, 7th SFG Workshop, Tokyo, Japan, Jun. 10-11, 2016.
• ○Y. Otsuki, T. Sugimoto, T. Ishiyama, A. Morita, K. Watanabe, and Y. Matsumoto, Heterodyne-detected sum frequency generation spectroscopy of ice surface,7th SFG Workshop, Tokyo, Japan, Jun. 10-11, 2016.
• ○A. Morita and T. Ishiyama, Microscopic Structure and Uptake Kinetics at Aqueous Solution Surfaces, 251st ACS National Meeting, Symposium on "Physical Chemistry of Complex Environmental Interfaces," San Diego, CA, Mar. 13-17, 2016.
• A. Morita, Recent Development of Computational Analysis on Vibrational Sum Frequency Generation Spectroscopy, CECAM Workshop "Liquid/Solid Interfaces: Structure and dynamics from spectroscopy and simulations - 3rd Edition", Lausanne, Switzerland, Jan. 25-27, 2016.

2015

• ○A. Morita, L. Wang, and T. Ishiyama, Computational SFG analysis of organic liquid surfaces, Pacifichem 2015, Symposium on "Recent Experimental and Theoretical Advances in Studies of Liquid Interfaces", Honolulu, HI, USA, Dec. 15-20, 2015.
• ○T. Ishiyama, A. Morita, and T.Tahara, Two-Dimensional Sum Frequency Generation Spectra at Vapor/Water Interface: Molecular Dynamics Simulation Study, Pacifichem 2015, Symposium on "Recent Experimental and Theoretical Advances in Studies of Liquid Interfaces", Honolulu, HI, USA, Dec. 15-20, 2015.
• T. Ishiyama, ○D. Terada, and A. Morita, Vibrational Spectroscopic Study of Lipid/Water Interface by Molecular Dynamics Simulation Pacifichem 2015, Symposium on "Recent Experimental and Theoretical Advances in Studies of Liquid Interfaces", Honolulu, HI, USA, Dec. 15-20, 2015.
• ○N. Kikkawa, L.-J. Wang, and A. Morita, Role of Water Fingering in Ion Transport through Oil-Water Interface, Pacifichem 2015, Symposium on "Recent Experimental and Theoretical Advances in Studies of Liquid Interfaces", Honolulu, HI, USA, Dec. 15-20, 2015.
• A. Morita, Microscopic Barrier Mechanism of Ion Transport through Liquid-Liquid Interface, 5th Campus Asia Symposium, Shanghai, China, Nov. 5-6, 2015.
• L. Wang, Microscopic Structure of Organic Electrolyte Interface by Molecular Dynamics and Sum Frequency Generation Spectroscopy, 5th Campus Asia Symposium, Shanghai, China, Nov. 5-6, 2015.
• ○N. Kikkawa, L.-J. Wang, and A. Morita, Study of Ion Transport through Liquid Interfaces by using Molecular Dynamics Simulation, Tohoku University's Chemistry Summer School 2015, Sendai, Aug. 26-28, 2015.
• ○L.-J. Wang, N. Kikkawa, and A. Morita, Distribution of Hydrated Ion Clusters Transported through Water-Oil Interface, Tohoku University's Chemistry Summer School 2015, Sendai, Aug. 26-28, 2015.
• ○D. Suzuoka, H. Takahashi, and A. Morita, Analyses of the Solvation Free Energies due to Electron Density Fluctuation using QM/MM Method Combined with a Theory of Solutions, Tohoku University's Chemistry Summer School 2015, Sendai, Aug. 26-28, 2015.
• A. Morita, Molecular Dynamics Study of Heterogeneous Kinetics and Reactions, International Workshop on Heterogeneous Kinetics Related to Atmospheric Aerosols, Beijing, China, Aug. 9-10, 2015.
• A. Morita, Recent Computational Studies on Surface Vibrations and Sum Frequency Generation Spectroscopy, Telluride Science Research Conference on Vibrational Dynamics, Telluride, CO, USA, Jul. 27-31, 2015.
• A. Morita, Theoretical analysis on structure and function of solution and polymer interfaces, International Symposium on Soft Molecular Systems, Tokyo, Jul. 9-11, 2015.
• ○T. Ishiyama, T. Tahara, and A. Morita, Molecular dynamics simulation study of two-dimensional heterodyne detected sum frequency generation spectra at vapor/water interface, International Symposium on Soft Molecular Systems, Tokyo, Jul. 9-11, 2015.
• ○H. Takahashi, D. Suzuoka, and A. Morita, Free energy analysis of hydration of benzene -- Role of OH/π interaction in solvation --, International Symposium on Soft Molecular Systems, Tokyo, Jul. 9-11, 2015.
• A. Morita, Theory of structure and functions of liquid and polymer interface, International Symposium on Soft Molecular Systems, Tokyo, Jul. 9-11, 2015.
• ○T. Joutsuka and A. Morita, Theory and efficient computation of vibrational difference spectra in water, International Symposium on Soft Molecular Systems, Tokyo, Jul. 9-11, 2015.
• A. Morita, Theoretical Analysis of Sum Frequency Spectra and Microscopic Ion Transport at Liquid-Liquid Interfaces, 48th Heyrovsky Discussion on "Progress in Electrochemistry at Liquid-Liquid Interfaces and Liquid Membranes", Castle Trest, Czech Republic, Jun. 14-19, 2015.
• A. Morita, Computational Analysis of Surface Nonlinear Spectroscopy, 4th Annual World Congress of Advanced Materials-2015 (WCAM-2015), Chongqing, China, May 27-29, 2015.
• A. Morita, Theoretical Analysis of Multi-scale Mass Transfer Kinetics in Droplet Flows, EMN Droplets Meeting 2015, Phuket, Thailand, May 8-11, 2015.
• A. Morita, Recent Computational Analysis of Sum Frequency Generation Spectroscopy, Carnegie Mellon University, Mar. 27, 2015.
• ○A. Morita, T. Ishihara, K. Saito, T. Ishiyama, L. Wang, Theoretical Analysis on the Methods to Derive Surface Molecular Orientation by Sum Frequency Generation Spectroscopy, 249th ACS National Meeting, Denver, CO, Mar. 22-26, 2015.
• ○T. Joutsuka, A. Morita, Theory and efficient computation of vibrational difference spectra, 249th ACS National Meeting, Denver, CO, Mar. 22-26, 2015.
• ○N. Kikkawa, L.-J. Wang, A. Morita, Molecular Dynamics Simulation of Ion transports through Liquid-Liquid Interface, 249th ACS National Meeting, Denver, CO, Mar. 22-26, 2015.

2014

• T. Ishiyama and A. Morita, Molecular Dynamics Simulation of Sum Frequency Generation Spectra at Water and Aqueous Surfaces, International Symposium on Extended Molecular Dynamics and Enhanced Sampling: Nose Dynamics 30 Years (NOSE30), Tokyo, Nov. 10-11, 2014.
• A. Morita, Theory and Computational Analysis of Surface Nonlinear Spectroscopy, 10th Congress of the World Association of Theoretical and Computational Chemists (WATOC 2014), Santiago, Chile, Oct. 5-10, 2014.
• ○Nobuaki Kikkawa, Akihiro Morita, Study of Ion Transport through Liquid Interface by using Molecular Dynamics Simulation (O-6), Tohoku University's Chemistry Summer School 2014, Sendai, Aug. 24-27, 2014.
• ○Lingjian Wang, Nobuaki Kikkawa, Akihiro Morita, Catalytic Effect of Trace Water on Ion Transport through Liquid-Liquid Interface -- Water Finger Formation and Hydration (P-48), Tohoku University's Chemistry Summer School 2014, Sendai, Aug. 24-27, 2014.
• A. Morita, Structure and Solvation at Aqueous Interfaces, Telluride Science Research Conference on Hydrophobicity, Telluride, CO, USA, Jun. 24-28, 2014.
• A. Morita, Analysis of SFG Spectroscopy of Electrolyte Aqueous Interfaces, Telluride Science Research Conference on Nonlinear Optics at Interfaces, Telluride, CO, USA, Jun. 9-13, 2014.

2013

• A. Morita, Molecular Science for Liquid Interfaces, 5th JCS International Symposium on Theoretical Chemistry, Nara, Japan, Dec. 2-6, 2013.
• ○H. Takahashi, Y. Miki and A. Morita, Free energy calculations for chemical reactions in condensed phase with massively parallel QM/MM simulations, 5th JCS International Symposium on Theoretical Chemistry, Nara, Japan, Dec. 2-6, 2013.
• ○H. Takahashi, Y. Miki and A. Morita, Massively Parallel Implementation of the QM/MM Approach Combined with a Theory of Solutions, 3rd International Conference on Molecular Simulation, Kobe, Japan, Nov. 18-20, 2013.
• A. Morita, Molecular Simulation for Liquid Interfaces, 3rd International Conference on Molecular Simulation, Kobe, Japan, Nov. 18-20, 2013.
• ○T. Imamura, T. Ishiyama, and A. Morita, Study of aqueous NaOH solution surface via computational analysis of sum frequency spectra, 3rd International Conference on Molecular Simulation, Kobe, Japan, Nov. 18-20, 2013.
• ○T. Ishiyama, H. Takahashi, and A. Morita, Vibrational Spectroscopic Response at Water/Vapor and Ice/Vapor Interfaces : Effect of Charge Transfer, 3rd International Conference on Molecular Simulation, Kobe, Japan, Nov. 18-20, 2013.
• ○N. Kikkawa and A. Morita, Analysis of ion transport by using 2D free energy profile, 3rd International Conference on Molecular Simulation, Kobe, Japan, Nov. 18-20, 2013.
• A. Morita, Is Water Surface Acidic or Basic?, 3rd Campus Asia Symposium, Seoul, Korea, Nov. 7-9, 2013.
• H. Takahashi, Development of Massively Parallel QM/MM method Combined with a Theory of Solutions, CMSI International Symposium 2013, Tokyo, Japan, Oct. 21-22, 2013.
• H. Takahashi, Implementation and Application of the Massively Parallel QM/MM-ER Method, CMSI International Satellite Meeting in Nagoya, Nagoya, Japan, Oct. 17-19, 2013.
• T. Ishiyama, Molecular Dynamics Simulation of Structure and Vibrational Spectra at Water/Vapor and Ice/Vapor Interfaces : Effect of Charge Transfer, CMSI International Satellite Meeting in Nagoya, Nagoya, Japan, Oct. 17-19, 2013.
• ○N. Kikkawa and A. Morita, The Effect of Ion Pair Formation on Ion Passage through the Liquid-Liquid Interface (2P064), International Symposium for the 70th Anniversary of the Tohoku Branch of the Chemical Society of Japan, Sendai, Japan, Sep. 28-30, 2013.
• ○H. Sawai, K. Shiratori, T. Ishiyama, and A. Morita, Comprehensive calculation of sum frequency generation spectroscopy including the bulk contribution from electric quadrupole (3P046), International Symposium for the 70th Anniversary of the Tohoku Branch of the Chemical Society of Japan, Sendai, Japan, Sep. 28-30, 2013.
• ○S. Sakaguchi and A. Morita, Molecular dynamics study of water transfer at supercooled sulfuric acid solution surface covered with butanol (3P047), International Symposium for the 70th Anniversary of the Tohoku Branch of the Chemical Society of Japan, Sendai, Japan, Sep. 28-30, 2013.
• ○D. Suzuoka, S. Kimura, H. Takahashi, and A. Morita, Why is benzene soluble in water? -Role of the fluctuation of π electrons in aromatic solutes immersed in water. - (3P048), International Symposium for the 70th Anniversary of the Tohoku Branch of the Chemical Society of Japan, Sendai, Japan, Sep. 28-30, 2013.
• ○Y. Miki, H. Takahashi, and A. Morita, Free energy analyses for ATP hydrolysis using quantum mechanical /molecular mechanical simulations combined with a theory of solutions (3P049), International Symposium for the 70th Anniversary of the Tohoku Branch of the Chemical Society of Japan, Sendai, Japan, Sep. 28-30, 2013.
• ○Y. Tabe, N. Kikkawa, H. Takahashi, and A. Morita, Elucidation of surface acidity of trimethylamine water solution by computational method (3P054), International Symposium for the 70th Anniversary of the Tohoku Branch of the Chemical Society of Japan, Sendai, Japan, Sep. 28-30, 2013.
• ○T. Ishihara, T. Ishiyama, and A. Morita, Development of SFG analyzing software CALNOS and application of surface of methanol/water mixture (3P055), International Symposium for the 70th Anniversary of the Tohoku Branch of the Chemical Society of Japan, Sendai, Japan, Sep. 28-30, 2013.
• ○T. Ishiyama, H. Takahashi, and A. Morita, Vibrational Spectroscopic Response at Water/Vapor and Ice/Vapor Interfaces : Effect of Charge Transfer (3P064), International Symposium for the 70th Anniversary of the Tohoku Branch of the Chemical Society of Japan, Sendai, Japan, Sep. 28-30, 2013.
• A. Morita, Theory and Simulation of Aqueous Interfaces and their Spectroscopy, 246th ACS National Meeting, Symposium on "Theory and Experiment on Water and Hydration," Indianapolis, IN, Sep. 8-12, 2013.
• ○D. Suzuoka, S. Kimura, H. Takahashi, A. Morita, Computation of the solvation free energies due to the fluctuation of π-electrons in benzene in water utilizing the QM/MM simulations combined with perturbation theory, Tohoku University's Chemistry Summer School 2013, Sendai, Japan, August 28-31, 2013.
• ○N. Kikkawa, A. Morita, Theoretical analysis of ion transport through soft interfaces, Tohoku University's Chemistry Summer School 2013, Sendai, Japan, August 28-31, 2013.
• ○Y. Miki, H. Takahashi, A. Morita, Free energy analyses for ATP hydrolysis using quantum mechanical/molecular mechanical simulations combied with a theory of solutions, Tohoku University's Chemistry Summer School 2013, Sendai, Japan, August 28-31, 2013.
• ○T. Ishihara, T. Ishiyama, A. Morita, Development of software "CALNOS" for nonlinear spectroscopy calculation and its application to surface of water/methanol mixture, Tohoku University's Chemistry Summer School 2013, Sendai, Japan, August 28-31, 2013.
• T. Ishiyama, Vibrational Spectroscopic Response at Water/Vapor and Ice/Vapor Interfaces : Effect of Charge Transfer, 7th International Conference on Advanced Vibrational Spectroscopy, Kobe, Japan, Aug. 25-30, 2013.
• T. Imamura, Salt effects on water surface orientational structure studied by computational analysis of Sum Frequency Generation spectra, Sogang University, Seoul, Korea, Aug. 24, 2013.
• A. Morita, Theory and Computational Analysis of Sum Frequency Generation Spectroscopy of Liquid Interfaces, CECAM Workshop "Liquid/Solid Interfaces: Structure and Dynamics from Spectroscopy and Simulations," Lausanne, Switzerland, June 24-27, 2013.
• A. Morita, Evaporation and Condensation Mechanisms through Monolayer Films, 2nd Campus Asia Symposium, Nanjing, China, Mar. 13-14, 2013.
• T. Imamura, Computational analysis of water orientations at surfaces of various aqueous electrolyte solutions, Campus Asia Symposium, Shanghai, China, Mar. 8, 2013.
• A. Morita, Computational Analysis of Surface Nonlinear Spectroscopy and Liquid Interfaces, Campus Asia Symposium, Seoul, Korea, Jan. 21, 2013.
• T. Imamura, Water Orientational Structures at Aqueous Electrolyte Solution Surfaces, Campus Asia Symposium, Seoul, Korea, Jan. 21, 2013.

2012

• A. Morita, Water and Ice Surfaces studied by Combination of Nonlinear Spectroscopy and Molecular Dynamics Simulation, Campus Asia Sendai Symposium, Sendai, Japan, Dec. 17-18, 2012.
• ○Takayuki Miyamae, Tatsuya Ishiyama, and Akihiro Morita, SFG and MD simulation study of surface structure of aqueous sulfuric acid solution, 14th International Conference on Vibrations at Surfaces, Kobe, Japan, Sep. 24-28, 2012.
• A. Morita, Computational analysis of sum frequency generation spectroscopy, University of Akron, Akron, OH, USA, Aug. 24, 2012.
• A. Morita, Mechanisms of Sum Frequency Generation from Liquid Benzene: Symmetry Breaking at Interface and Bulk Contribution, ACS National Meeting, Symposium on "Recent Advances in Studies of Molecular Processes at Liquid Interfaces", Phidaldephia, PA, USA, Aug. 19-23, 2012.
• A. Morita, Computational analysis of SFG spectroscopy and application to liquid interfaces, Pacific Northwest National Laboratory, Richland, WA, USA, Jun. 22, 2012.
• A. Morita, Analysis of SFG Spectra of Organic Liquid Surfaces, Telluride Science Research Conference on Nonlinear Optics at Interfaces, Telluride, CO, USA, Jun. 17-21, 2012.
• A. Morita, Unified view of χ⁽²⁾ of liquid water studied by MD and SFG spectroscopy, ACS National Meeting, Symposium on "Atmospheric and Geochemical Interfaces", San Diego, CA, USA, Mar. 25-29, 2012.
• A. Morita, Activities of Chemical Research in Tohoku University, 1st Campus Asia Symposium, Nagoya, Japan, Mar. 12-13, 2012.

2011

• ○H. Takahashi, A. Morita, Computation of reaction free energies by the QM/MM-ER approach - Exact treatment of the many-body interactions -, 7th Congress of the International Society for Theoretical Chemical Physics, Tokyo, Japan, Sep. 2-8, 2011.
• A. Morita, Theory and Computation of Surface Nonlinear Spectroscopy and Structure of Water Surface, 14th Korea-Japan Joint Symposium on Frontiers of Molecular Science "New Visions for Spectroscopy and Computation: Temporal and Spatial Adventures of Molecular Sciences", Busan, Korea, Jul. 6-8, 2011.
• T. Ishiyama, Understanding of Interfacial Water Structure from Molecular Dynamics Simulation and Vibrational Sum Frequency Generation Spectroscopy, CECAM Workshop on "Liquid/Solid interfaces: Structure and dynamics from spectroscopy and simulations," Lausanne, Switzerland, June 27-29, 2011.
• A. Morita, Theory and Computation of Sum Frequency Generation Spectroscopy, Telluride Science Research Conference on Chemistry and Dynamics in Complex Environments, Telluride, CO, USA, June 26-30, 2011.
• A. Morita, T. Ishiyama and K. Shiratori, Computer Simulation of Surface Nonlinear Spectroscopy, International Conference on Computational Science 2011, "Large Scale Computational Molecular Science", Singapore, Jun. 1-3, 2011.
• A. Morita, Theory of sum frequency generation spectroscopy and application to liquid surfaces, CECAM Workshop on Vibrational Spectroscopy of Complex Systems, Paris, France, May 23-25, 2011.

2010

• ○T. Ishiyama and A. Morita, Surface structure and vibrational spectrum at water surface: A molecular dynamics study, Pacifichem 2010, Symposium "Recent advances in studies of molecular processes at liquid interfaces", Honolulu, Hawaii, USA, Dec. 15-20, 2010.
• A. Morita and T. Ishiyama, Computational analysis of nonlinear spectroscopy at water surface, Pacifichem 2010, Symposium "Molecular Dynamics in Complex Environments: Theory and Experiments", Honolulu, Hawaii, USA, Dec. 15-20, 2010.
• A. Morita, Aqueous surfaces studied by sum frequency generation spectroscopy and molecular simulation,Miniworkshop on Aqueous Interfaces in Physics, Chemistry and Biology, Taipei, Taiwan, Nov. 27, 2010.
• A. Morita, Theoretical Analysis on the Phase of Nonlinear Susceptibility at Water Surface, Telluride Science Research Conference on Nonlinear Optics at Interfaces, Telluride, CO, USA, Jun. 21-25, 2010.
• A. Morita, Development of Theory on Surface Nonlinear Spectroscopy and Application to Liquid Interfaces, International Symposium on Molecular Theory for Real Systems, Kyoto, Japan, Jan. 7-9, 2010.

2009

• A. Morita, Theoretical Phase Analysis of Nonlinear Susceptibility for Water Surface, Mini-Workshop on Liquid Surfaces, Seoul, Korea, Dec. 3-4, 2009.
• A. Morita, Structure of aqueous interfaces studied by MD analysis of SFG spectroscopy, Telluride Science Research Conference on Chemistry and Dynamics in Complex Environments, Telluride, CO, USA, Jun. 22-26, 2009.
• A. Morita, Computational Analysis of Sum Frequency Generation Spectroscopy and Aqueous Surfaces, 13th International Conference on Surface and Colloid Science, New York, NY, USA. Jun. 14-19, 2009.
• A. Morita, Development of Theory on Interfacial Sum Frequency Generation Spectroscopy based on Molecular Simulation, 3rd Symposium on "Molecular Science for Supra Functional Systems", Tokyo, Japan, Jun. 3-4, 2009.

2008

• A. Morita, Interface Structure of Electrolyte Aqueous Solutions Studied by a Combination of Sum Frequency Generation Spectroscopy and Molecular Simulation, Telluride Science Research Conference on Liquid and Solid Aqueous Surfaces and Interfaces, Telluride, CO, USA, Aug. 11-15, 2008.
• A. Morita, Molecular Dynamics Analysis of Vibrational SFG Spectroscopy, Telluride Science Research Conference on Nonlinear Optics at Interfaces, Telluride, CO, USA, Jun. 23-27, 2008.

2007

• A. Morita, Local Interface Structure of Electrolyte Solutions Probed by Sum Frequency Generation and Molecular Simulation, 2nd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry, Kyoto, Japan, Dec. 7-9, 2007.
• A. Morita, Theoretical Aspects of Interfacial Sum Frequency Generation Spectroscopy, 1st Asian Science Forum, Sendai, Sep. 10-11, 2007.
• A. Morita, T. Ishiyama, Computational Analysis of Interfacial Sum Frequency Generation Spectroscopy, 234th ACS National Meeting, Symposium on "Recent Advances in Studies of Molecular Processes at Interfaces", Boston, MA, USA, Aug. 19-23. 2007.
• A. Morita, Molecular dynamics study of interfacial sum frequency generation spectroscopy, 12th Korea-Japan Joint Symposium on Frontiers of Molecular Science "Leading-Edge and the Future of Photo-Molecular Science", Jeju, Korea, Jul. 5-7, 2007.

2006

• A. Morita, Molecular Dynamics Analysis of Vibrational Sum Frequency Generation Spectroscopy, Institute of Atomic and Molecular Sciences, Taipei, Taiwan, Sep. 28, 2006.
• ○T. Ishida, A. Morita, Extended Treatment of Charge Response Kernel Comprising the Density Functional Theory and Charge Regulation Procedures (poster), 12th International Congress of Quantum Chemistry, Kyoto, Japan, May 21-26, 2006.
• A. Morita, Recent Progress in Molecular Dynamics Simulation of Vibrational Sum Frequency Generation Spectroscopy, APS March Meeting, Symposium "Chemical and Spectroscopic Applications of Nonlinear Optics", Baltimore, MD, USA, Mar. 13-17, 2006.

2005

• A. Morita, Theoretical Calculation of Sum Frequency Generation Spectroscopy, University of California, Berkeley, CA. USA, Nov. 18, 2005.
• A. Morita, T. Ishida, Charge Response Kernel Theory Based on Ab Initio and Density Functional Calculations, International Conference of Computational Methods in Sciences and Engineering (ICCMSE) 2005, Loutraki, Greece, Oct. 21-26, 2005.
• A. Morita, Improved Computation of Sum Frequency Generation Spectrum of Water Surface (poster), Gordon Research Conference on "Dynamics at Surfaces", Andover, NH, USA, Aug. 14-19, 2005.
• A. Morita, Molecular Dynamics Calculations of Interfacial Sum Frequency Generation Spectroscopy (poster), 1st NAREGI International Nanoscience Conference, Nara, Japan, Jun. 14-17, 2005.
• A. Morita, Theory and Simulation of Interfacial Sum Frequency Generation Spectroscopy, 11th Japan-Korea Joint Symposium - Frontiers in Molecular Science, Okazaki, Japan, Mar. 15-17, 2005.

2004

• A. Morita, "Heterogeneous Atmospheric Chemistry and Interfacial Phenomena", Okazaki Lectures: Asian Winter School, Okazaki, Japan, Dec. 6-0, 2004.
• A. Morita, M. Sugiyama, S. Koda, D. R. Hanson, Molecular Dynamics and Fluid Dynamics Analyses of Mass Accommodation Kinetics, 228th ACS National Meeting, Symposium "Liquids and Liquid Surfaces", Philadelphia, PA, USA, Aug. 22-26, 2004.
• A. Morita, J. T. Hynes, Time Dependent Theory of Sum Frequency Generation Spectra, 227th ACS National Meeting, Symposium "Vibrational Analyses of Dry and Wet Surfaces", Anaheim, CA, USA, Mar. 28 - Apr. 1, 2004.

2003

• A. Morita, M. Sugiyama, H. Kameda, S. Koda, D. R. Hanson, Mass Accommodation Coefficients at Liquid-Vapor Interfaces: Theoretical Analysis by Molecular Dynamics and Fluid Dynamics Calculations, 22nd Annual AAAR Conference, Symposium "Heterogeneous Chemistry", Anaheim, CA, USA, Oct. 20-24, 2003.
• A. Morita, Condensation Coefficient of Water (poster), Gordon Research Conference on "Dynamics at Surfaces," Andover, NH, USA, Aug. 10-15, 2003.
• A. Morita, Mass Accommodation Kinetics at Liquid-Vapor Interfaces, ICP21 Satellite Meeting "Spectroscopy and Atmospheric Chemistry Symposium", Kyoto, Japan, July 24-25, 2003.
• A. Morita, Theoretical Analysis of Sum Frequency Generation Spectroscopy, Gordon Research Conference on "Electronic Spectroscopy and Dynamics," Lewiston, ME, USA, July 6-11, 2003.

2002

• A. Morita, M. Sugiyama and S. Koda, Numerical Analysis of the Droplet Train Apparatus for Mass Accommodation Coefficients (poster), 224th ACS National Meeting, Boston, MA, USA, Aug. 17-22, 2002.
• A. Morita, M. Sugiyama and S. Koda, Gordon Research Conference on "Water and Aqueous Solutions" (poster), Plymouth, NH, USA, Aug. 4-9, 2002.
• A. Morita, M. Sugiyama and S. Koda, Gas-Phase Flow and Diffusion Analysis of the Droplet Train Apparatus on the Mass Accommodation Processes, 27th EGS General Assembly, Nice, France, Apr. 21-26, 2002.
• A. Morita, M. Sugiyama, and S. Koda, Gas-Phase Flow and Diffusion Analysis of the Droplet Train Apparatus on the Mass Accommodation Processes, Mass Accommodation Workshop, Aerodyne Research, Billerica, MA, USA, Feb. 25-27, 2002.

2001

• A. Morita and J.T. Hynes, Theoretical Analysis of the SFG Spectra for Liquid-Vapor Interfaces (poster), 222nd ACS National Meeting, Chicago, IL, USA, Aug. 2001.
• A. Morita, Ab initio analysis of SFG spectroscopy, University of Kansas, Lawrence, KS, USA, Aug. 2001.
• A. Morita and J.T. Hynes, Gordon Research Conference on "Atmospheric Chemistry" (poster), Newport, RI, USA, Jun. 2001.
• A. Morita and J.T. Hynes, Theoretical Analysis of the Sum Frequency Generation Spectra for Liquid-Vapor Interfaces (poster), Computational Science Workshop 2001, Tsukuba, Mar. 2001.

2000

• A. Morita, Vibrational Relaxation of Azide Ion in Solutions, University of Colorado, Boulder, CO, USA, Apr. 2000.
• J.T. Hynes and A. Morita, Molecular Modeling of Sulfate Aerosols: Bulk and Surface Structure of Concentrated Sulfuric Acid Solutions (poster), 219th ACS National Meeting, San Francisco, CA, USA, Mar. 2000.

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Last modified December 9, 2024 by A. Morita

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