Wednesday, September 10
For each presentation, the alphabet in the Presentation Number indicates the location, the first digit the day of the presentation (the 1st, 2nd, 3rd, or 4th day of the meeting), and the last two the order within each day for that room.
- Room A Morning
- Room B Morning
- Room C Morning
- Room D Morning
- Room E Morning
- Room A Afternoon
- Room B Afternoon
- Room C Afternoon
- Room D Afternoon
- Room E Afternoon
Wednesday Morning Sessions(September 10, starting at 9:00)
Room A [Gas phase]
09:00-09:18
| 2A01 | Resonance transitions in electron-impact ionization of CF4 (IMRAM, Tohoku Univ.) *Noboru Watanabe, Masahiko Takahashi |
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09:18-09:36
| 2A02 | Electron-atom Compton scattering study on C and N atoms (School of Science, Science Tokyo1,IMRAM, Tohoku Univ.2) *Sota Sakaguchi1, Tomomasa Kodama1, Hana Konishi1, Masahiko Takahashi2, Yasuhiro Ohshima1, Masakazu Yamazaki1 |
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09:36-09:54
| 2A03 | Revisiting the hydrogen anomaly problem in high-energy electron backscattering (IMRAM, Tohoku University1,LPQSD, University Setif-12,Joint Institute of Nuclear Research3,Mongolian Academy of Sciences4,Mongolian Univ. of Science and Technology5,SINP, Lomonosov Moscow State University6) *Satoru Kanaya1, Yuuki Onitsuka1, Houamer Salim2, Ochbadrakh Chuluunbaatar3,4,5, Yuri Popov3,6, Masahiko Takahashi1 |
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09:54-10:12
| 2A04 | Electron momentum spectroscopy of aniline: Towards visualization of molecular orbitals in the triplet excited state (Department of Chemistry, School of Science, Institute of Science Tokyo1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University2) *Takumi Sato1, Masahiko Takahashi2, Yasuhiro Ohshima1, Masakazu Yamazaki1 |
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10:30-10:48
| 2A06 | Ion mobility-mass spectrometry of gas-phase beauvericin complexes: insight into molecular mechanisms of ion transport selectivity (Graduate School of Science, Tohoku Univ.1,Faculty of Education, Hokkaido Univ. of Education2) *Shunsuke Kamioka1, Ryosuke Ito1, Keijiro Ohshimo2, Fuminori Misaizu1 |
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10:48-11:06
| 2A07 | Cryogenic ion trap infrared spectroscopy of model complexes mimicking the sugar-binding site of C-type lectins -Elucidation of metal ion specificity in sugar recognition- (School of Science, Science Tokyo) *Taisei Takahashi, Temma Yazawa, Keisuke Hirata, Shun-ichi Ishiuchi |
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11:06-11:24
| 2A08 | Observation of electronic transitions in microsolvated clusters containing the hemibonded (H2S)2+ion core (Graduate School of Science, Tohoku University, Japan) *Mitsuaki Shioura, Mizuhiro Kominato, Asuka Fujii |
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11:24-11:42
| 2A09 | [Young Scientist Award Talk] Exploration of gas-phase molecular spectroscopy by using a cryogenic ion trap (Graduate School of Advanced Science and Engineering, Hiroshima Univ.) *Satoru Muramatsu |
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Room B [Clusters/Surface]
09:00-09:18
| 2B01 | Isomer separation and structure assignment of lanthanoid fluoride and chloride cluster anions by low temperature ion mobility–mass spectrometry (Graduate School of Science, Tohoku Univ.1,Karlsruhe Institute of Technology2) *Yuto Nakajima1, Patrick Weis2, Florian Weigend2, Marcel Lukanowski2, Fuminori Misaizu1, Mannfred Kappes2 |
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09:18-09:36
| 2B02 | Observation of Nanoparticles by Ion Trap Ion Mobility Spectrometry (Department of Chemistry, Toho University) Takato Washizu, Shinnosuke Kimura, Hyuga Takiguchi, Watabe Hayato, Teppei Hirai, *Toshiki Sugai |
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09:36-09:54
| 2B03 | CCl3+ ion production and substitution induced by UV laser vaporization of CCl4 droplet (Gakushuin Univ.) *Kenichi Okutsu, Yuki Anami, Jun-ya Kohno |
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09:54-10:12
| 2B04 | Anionization effect on HOMO-LUMO gap of [Au38(SC2H4Ph)24]0: measurement of photoelectron spectrum in gas phase (Grad. School of Science, The University of Tokyo) *Komei Akazawa, Shun Ito, Yuya Hamasaki, Kiichirou Koyasu, Tatsuya Tsukuda |
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10:30-11:06
| 2B06 | [Invited Talk] Anisotropic interactions at liquid-vapor interfaces of aqueous solutions from THz SFG spectroscopy using polarizable force field (Indian Institute of Technology Kanpur1,Institute of Science Tokyo2) Subhajit Dan1, Rimpi Dey1, *Amalendu Chandra1,2 |
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11:06-11:24
| 2B08 | Elucidation of electric double layer structure at an alumina/water interface using heterodyne-detected vibrational sum-frequency generation (Pioneering Research Institute, RIKEN1,School of Optoelectronic Mater. and Tech., Jianghan Univ.2,RAP, RIKEN3) Feng Wei1,2, *Satoshi Nihonyanagi1,3, Tahei Tahara1,3 |
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11:24-11:42
| 2B09 | Hydrogen-bond dynamics in the electric double layer at the charged lipid/water interface investigated by 2D HD-VSFG spectroscopy (Graduate School of Science, Kyoto Univ.1,Molecular Spectroscopy Laboratory, RIKEN2,RIKEN Center for Advanced Photonics (RAP), RIKEN3) *Erika Kinoshita1,2, Woongmo Sung2, Satoshi Nihonyanagi2,3, Hiroshi Okuyama1, Tahei Tahara2,3 |
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11:42-12:00
| 2B10 | Experimental and theoretical HD-SFG spectroscopy of acetonitrile surface (Saitama Univ.) *Tetsuyuki Takayama, Takuhiro Otosu, Shoichi Yamaguchi |
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Room C [Solid phase]
09:00-09:18
| 2C01 | Countercation-dependent aggregation-induced emission in zinc dithiolene complex crystals (Graduate School of Science and Engineering, Ibaraki University1,Graduate School of Science, Rikkyo Univ.2) *So Yokomori1, Soya Fujiwara2, Natsuki Mukudai2, Nobuyuki Matsushita2 |
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09:18-09:36
| 2C02 | Synthesis, crystal structure, and characterization of bright luminescent Ce(III) complex (Graduate School of Engineering, Muroran Institute of Technology1,Faculty of Advanced Science and Technology, Kumamoto Univ.2,Graduate School of Advanced Science and Engineering3) Yusuke Tagashira1, Masatoshi Ozawa1, Kiyonori Takahashi2, Takayoshi Nakamura3, *Toshifumi Iimori1 |
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09:36-09:54
| 2C03 | Nonlinear emission induced by energy-loop in a Eu(III) complex (Graduate School of Chemical Sciences and Engineering, Hokkaido University1,Faculty of Engineering, Hokkaido University2,National Institute for Materials Science (NIMS)3,Institute for Chemical Reaction Design and Discovery, Hokkaido University4) *Shota Hosoya1, Mengfei Wang2,4, Takayuki Nakanishi3, Yasuchika Hasegawa2,4, Yuichi Kitagawa2,4 |
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09:54-10:12
| 2C04 | Development of dual excitation luminescence spectroscopy to elucidate emission dynamics of lanthanide upconversion nanoparticle (Kyushu Univ.1,Department of physics, University of Cambridge2,Waseda Univ.3,Teikyo Univ. of Sci.4) *Kento Tatsui1, Kanji Sugioka1, Shiori Miyazaki2, Ryota Komatsuzaki3, Ryusuke Mizoguchi4, Ayumi Ishii3, Tomohiro Ogawa1, Kiyoshi Miyata1, Ken Onda1 |
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10:30-10:48
| 2C06 | Photochromic reaction of spironaphthooxazine nanocolloids by intense nanosecond pulse laser excitation (Graduate School of Science and Engineering, Ehime Univ.) *Yukihide Ishibashi, Atsushi Nishimoto, Tsuyoshi Asahi |
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10:48-11:06
| 2C07 | Spin coupler dependence of the electron spin polarization generation and the polarization transfer to the ground state in the photoexcited state of anthracene–radical-linked pai-conjugated systems (Graduate School of Science, Osaka Metropolitan Univ.1,Graduate School of Engineering, Osaka Metropolitan Univ.2,Graduate School of Science, Osaka City Univ.3,Faculty of Science, Osaka City Univ.4,Protein Research Institute., Osaka Univ.5,Graduate School of Engineering, Kochi Univ. of Tech.6) *Yoshio Teki1,2,3, Akihiro Shimizu3, Nobutoshi Kimura4, Ken Kato5, Akitaka Ito6 |
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11:06-11:24
| 2C08 | Polarization dependence of optical response of monolayer MoSe2 for polariton formation (NAIST1,QST Takasaki2,QST Kansai3) *Honoka Ueki1, Garrek Stemo1, Tomoyuki Endo3, Seiji Sakai2, Ryuji Itakura3, Hiroyuki Katsuki1 |
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11:24-11:42
| 2C09 | Direct observation of sequential structural changes in a single crystal during a slow photochemical reaction process (Graduate School of Science and Engineering, Ehime Univ.1,GRC, Ehime Univ.2,E-USE, Ehime Univ.3) *Minaho Nakaie1, Toshio Naito1,2,3 |
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11:42-12:00
| 2C10 | Photoexcitation and dynamic changes of electronic states including core electron (Graduate School of Science and Engineering, Ehime Univ.1,Faculty of Science, Ehime Univ.2,GRC, Ehime Univ.3,E-USE, Ehime Univ.4) *Harune Nishida1, Mika Kabumoto2, Toshio Naito1,3,4 |
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Room D [Biomolecules]
09:00-09:18
| 2D01 | Electronic structures of myoglobin heme irons in aqueous solutions analyzed by soft X-ray absorption spectroscopy (IMS1,RIKEN2,SOKENDAI3) Yasunobu Sugimoto1, Syota Tsuru2, *Masanari Nagasaka1,3 |
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09:18-09:36
| 2D02 | Photothermal conversion in a de novo multiheme protein and its application to molecular heater (Graduate School of Science, Osaka Univ.) *Mao Ito, Haruto Ishikawa, Yasuhisa Mizutani |
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09:36-10:12
| 2D03 | [Invited Talk] Time-resolved structural analysis of proteins using X-ray free electron lasers (Institute of Multidisciplinary Research for Advanced Materials, Tohoku University) *Eriko Nango |
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10:30-10:48
| 2D06 | Python implementation of independent fluorescence component analysis (Mol. Spectrosc. Lab., RIKEN) *Kunihiko Ishii, Miyuki Sakaguchi, Tahei Tahara |
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10:48-11:06
| 2D07 | Probing protein-DNA interactions with two-dimensional fluorescence lifetime correlation spectroscopy utilizing protein-induced fluorescence enhancement (Molecular Spectroscopy Laboratory, RIKEN, Japan1,Ultrafast Spectroscopy Research Team, RIKEN Center for Advanced Photonics (RAP), Japan2) *Sandeep Yadav1, Kunihiko Ishii1,2, Tahei Tahara1,2 |
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11:06-11:24
| 2D08 | Investigation of enzymatic reaction network by two-dimensional fluorescence lifetime correlation spectroscopy (Molecular Spectroscopy Laboratory, RIKEN, Japan1,Molecular Physiology Laboratory, RIKEN, Japan2,RIKEN Center for Advanced Photonics, Japan3) *Tsukasa Tokita1, Hajime Shinoda2, Kunihiko Ishii1,3, Rikiya Watanabe2, Tahei Tahara1,3 |
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Room E [Theory]
09:00-09:18
| 2E01 | Transition state search algorithm based on deep reinforcement learning (Graduate School of Science, Osaka University) *Takechika Kikkawa, Shusuke Yamanaka, Ryohei Kiyofuji, Takashi Kawakami, Mitsutaka Okumura |
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09:18-09:36
| 2E02 | Machine learning molecular dynamics simulation of CO2 hydrogenation to formate on Cu(111) surface (Graduate School of Engineering, The University of Osaka) *Harry Halim, Yoshitada Morikawa |
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09:36-09:54
| 2E03 | Optimization of Transition Metal Catalysts based on Virtual Ligand Computation (Faculty of Science, Hokkaido University1,WPI-ICReDD, Hokkaido University2,JST-EARTO3,Graduate School of Chemical Sciences and Engineering, Hokkaido University4,Graduate School of Information Science and Technology, The University of Tokyo5) *Wataru Matsuoka1,2,3, Ken Hirose4, Ren Yamada4, Taihei Oki2,3, Satoru Iwata2,3,5, Satoshi Maeda1,2,3 |
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09:54-10:12
| 2E04 | Theoretical study on structural fluctuation and exciton transfer in dipyrrin complexes (Grad. Sch. of Eng., Kyoto Univ.1,Grad. Sch. of Sci. Tohoku Univ.2,FIFC, Kyoto Univ.3) *Hiroki Uratani1, Ryojun Toyoda2, Ryota Sakamoto2, Hirofumi Sato1,3 |
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10:30-10:48
| 2E06 | Simulation of double ionization of one-dimensional He in an intense ultrashort vacuum-ultraviolet laser field on a noisy quantum hardware simulator (School of Science, The Univ. of Tokyo1,RIKEN2,I-ALFA, The Univ. of Tokyo3) *Kazuki Tsuoka1, Erik Lötstedt2, Kaoru Yamanouchi1,3 |
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10:48-11:06
| 2E07 | Coupled cluster method with efficiently integrated quantum computation (QIQB center, The Univ. of Osaka) Luca Erhart, *Yuichiro Yoshida, Wataru Mizukami |
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11:06-11:24
| 2E08 | Analysis of the hydrolysis mechanisms of triazine ring by quantum chemical explorations and ab initio molecular dynamics simulations (Graduate School of Science, Tohoku Univ.1,Graduate School of Science, Univ. of Zurich2) *Yukun Bai1, Naoki Kishimoto1, Jurg Hutter2, Hiroko Satoh2 |
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11:24-11:42
| 2E09 | A reaction coordinate analysis of a real chemical reaction dynamics by Lie canonical perturbation theory (Grad. School of Chem. Sci. and Eng., Hokkaido Univ1,Res. Inst. of Elec. Sci., Hokkaido Univ2,Faculty of Science, Hokkaido Univ.3,WPI-ICReDD, Hokkaido Univ.4,G-QuAT, AIST5) *Ryoichi Tanaka1, Yuta Mizuno5,2, Umair Umer4,2, Ruben Staub4, Tetsuya Taketsugu3,4, Tamiki Komatsuzaki2,4 |
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11:42-12:00
| 2E10 | Development of static correlation method based on divide-and-conquer method using two-particle reduced density matrix (School of ASE, Waseda Univ.1,WISE, Waseda Univ.2) *Chinami Takashima1, Hiromi Nakai1,2 |
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Wednesday Afternoon Sessions(September 10, starting at 15:15)
Room A [Gas phase]
15:15-15:33
| 2A11 | Formation of nonvolatile organic compounds by reaction of isoprene-derived Criegee intermediate and carboxylic acids (Graduate School of Science, Tokyo univ. of science1,School of Science, Kitasato univ.2,AIST3,Graduate School of Frontier Sciences, The univ. of Tokyo4) *Satoshi Ikeda1,2, Shoma Hoshino1,2, Hiroo Hata3,4, Kenichi Tonokura4, Shun Koyama2, Haruki Ishikawa2, Koichi Tsukiyama1 |
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15:33-15:51
| 2A12 | Cryogenic ion trap infrared spectroscopy of hydrated flavin – observation of proton transfer in photo-excited flavin catalyzed by water bridge (Sch. Sci., Science Tokyo1,Paris-Saclay Univ.2,TU Berlin3,RDI, Chuo Univ.4,Lab. Chem. Life Sci., Science Tokyo5) *Sotaro Ohara1, Keisuke Hirata1, Gilles Gregoire2, Otto Dopfer3, Masaaki Fujii4,5, Shun-ichi Ishiuchi1 |
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15:51-16:09
| 2A13 | Cold gas-phase spectroscopy of aromatic three-membered-ring carbon compounds: correlation between splitting of degenerate ππ* transitions and geometric structures (Graduate School of Advanced Science and Engineering, Hiroshima Univ.) *Masahiro Koyama, Satoru Muramatsu, Yoshiya Inokuchi |
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16:27-16:45
| 2A15 | Experimental observation of ionization-induced π→H Ar atom migration in the 4-aminobenzonitrile–Ar2 cluster: Possibility of Ar atom tunneling (Graduate School of Science, Ochanomizu Univ.1,School of Science, Institute of Science Tokyo2) *Shino Yukumi1, Toru Sasaki2, Yasuhiro Ohshima2, Mitsuhiko Miyazaki1 |
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16:45-17:03
| 2A16 | Infrared Spectroscopic Investigation of Microhydration Effects on the Hemibond in [H2O–X]+ (X = N2O, O2) Clusters (Graduate School of Science, Tohoku Univ.) *Tatsuki Hosoda, Mizuhiro Kominato, Asuka Fujii |
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17:03-17:21
| 2A17 | Photoallylation mechanism of dicyanobenzenes in solution investigated by gas-phase spectroscopy (Hiroshima University Graduate School) *Go Nagamoto, Ryosuke Gouda, Yuma Kitamura, Satoru Muramatu, Manabu Abe, Yoshiya Inokuchi |
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Room B [Surface]
15:15-15:33
| 2B11 | Elucidation of the interfacial transfer mechanism of lanthanide ions in solvent extraction systems using diglycolamide extractants: observation of complex intermediates at the air–liquid interface by vibrational sum frequency generation spectroscopy (Nuclear Science and Engineering Center, Japan Atomic Energy Agency (JAEA)1,Graduate School of Advanced Science and Engineering, Hiroshima University2) *Kosuke Okudera1,2, Shu-hei Urashima1, Yuji Sasaki1, Masayuki Watanabe1, Satoru Muramatsu2, Yoshiya Inokuchi2, Ryoji Kusaka1 |
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15:33-15:51
| 2B12 | Interfacial dehydration of metal ions: The active role of the organic phase in liquid–liquid extraction. (Nuclear Science and Engineering Center, Japan Atomic Energy Agency (JAEA)1,Graduate School of Science and Engineering, Ibaraki Univ.2) *Noa Nakai1,2, Shu-hei Urashima1, Masayuki Watanabe1,2, Takuya Sekikawa1, Ryoji Kusaka1,2 |
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15:51-16:09
| 2B13 | A sum-frequency generation vibrational spectroscopy studies on buried liquid/liquid interfaces of CCl4/[Cnmim][TFSA] hydrophobic ionic liquids (Dept. of Materials Science and Engineering, Science Tokyo1,Dept. of Physics, Sogang Univ.2) *Takashi Iwahashi1, Doseok Kim2, Yukio Ouchi1 |
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16:27-16:45
| 2B15 | Development of theory for electric quadrupole and magnetic dipole in sum frequency generation and effects on measured spectra (Graduate School of Science, Tohoku Univ.) *Tomonori Hirano, Akihiro Morita |
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16:45-17:03
| 2B16 | Dynamics of hydrated electron at the air/water interface probed by femtosecond time-resolved HD-ESFG spectroscopy (Molecular Spectroscopy Laboratory, RIKEN1,Ultrafast Spectroscopy Research Team, RIKEN Centre for Advanced Photonics (RAP), RIKEN2) *Subhadip Roy1, Satoshi Nihonyanagi1,2, Tahei Tahara1,2 |
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17:03-17:21
| 2B17 | Photoelectron spectroscopy of hydrated electron generation from phenol and phenolate at the aqueous solution interface (Graduate School of Science, Kyoto Univ.) *Yo-ichi Yamamoto, Toshinori Suzuki |
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Room C [Solid phase]
15:15-15:33
| 2C11 | Investigation of device architecture and evaluation of spin polarization characteristics in circularly polarized organic light-emitting devices incorporating chiral carrier transport layers (Graduate School of Science and Engineering, Ibaraki Univ.1,School of Science, Kitasato Univ.2) *Kazuyuki Asahi1, Masashi Hasegawa2, Hiroyuki Nishikawa1 |
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15:33-15:51
| 2C12 | Electrochemical chirality switching in a two-dimensional van der Waals material (School of Science, Science Tokyo) *Pojung Huang, Hiroaki Kusunoki, Kouji Taniguchi |
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15:51-16:09
| 2C13 | Chirality effects on Molecular Assembly Structure, phase transition behavior and dynamics of molecules in tetradecylammonium camphorsulfonate salts (Graduate School of Engineering, Tohoku University1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University2,Graduate School of Natural Science and Technology, Kanazawa University3) *Takumasa Ogasawara1, Shun Dekura1,2, Chisato Sato1, Tetsu Sato1,2, Takuya Kurihara3, Motohiro Mizuno3, Tomoyuki Akutagawa1,2 |
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16:27-16:45
| 2C15 | Dielectric properties of cyclic polyoxometalates with encapsulated ion exchange (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,NIT, Ube College.2,CResCent, Hiroshima Univ.3,PRESTO,JST4) *Yuma Takemoto1, Masato Haneda1, Chisato Kato1, Jun Manabe1, Masaru Fujibayashi2, Takayoshi Nakamura1, Sadafumi Nishihara1,3,4 |
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16:45-17:03
| 2C16 | Synthesis and Phase Transition Behavior of Sulfur-Containing Semiconductive Coordination Polymers Incorporating Long Alkyl Chain (School of Science, Kwansei Gakuin Univ.) *Ryohei Akiyoshi, Daisuke Tanaka |
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17:03-17:21
| 2C17 | First-Principle Simulation Approach to the Chemical Pressure Effect on Anharmonic Vibrational Responses at Organic Molecule–Inorganic Framework Interfaces (Center for Condensed Matter Sciences, National Taiwan University) Houng-wei Wang, Chih-sheng Hsu, *Michitoshi Hayashi |
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Room D [Biomolecules]
15:15-15:33
| 2D11 | Influence of protein environments on hydrogen bond distances (Grad. Sch. Eng., Univ. Tokyo1,RIKEN PRI2,RCAST, Univ. Tokyo3) *Masaki Tsujimura1,2, Hiroshi Ishikita1,3, Keisuke Saito1,3 |
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15:33-15:51
| 2D12 | Molecular dynamics simulations on histone methylation-dependent binding of LEDGF (IMS1,ExCELLS2,SOKENDAI3,Dept. Sci., Shinshu Univ.4) Hinako Suzuki4, Hisashi Okumura1,2,3, *Satoru Itoh1,2,3 |
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15:51-16:09
| 2D13 | Nonequilibrium molecular dynamics simulation to elucidate the mechanism of flow-induced protein aggregation (ExCELLS1,IMS2,SOKENDAI3) Masaki Otawa2,3, Satoru g. Itoh1,2,3, *Hisashi Okumura1,2,3 |
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16:27-16:45
| 2D15 | Molecular crowding effects on folding reaction of the artificial photoresponsive protein AzoGB1 (Graduate School of Science, Kyoto Univ.1,Hokkaido University2,Tokushima University3) *Keigo Fujiwara1, Ikuya Nakaoka1, Honoka Ohta2, Soichiro Kawagoe3, Koichiro Ishimori2, Tomohide Saio3, Masahide Terazima1, Yusuke Nakasone1 |
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16:45-17:03
| 2D16 | Theoretical analysis of fluctuation effects on optical properties of light-harvesting antenna LH2 with molecular dynamics simulation (Graduate School of Engineering, Kyoto Univ.1,FIFC, Kyoto Univ.2,Graduate School of Informatics, Nagoya Univ.3) *Shunsuke Yabu1, Hirofumi Sato1,2, Masahiro Higashi3 |
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17:03-17:21
| 2D17 | A quantum chemical study on the reaction mechanism of the EGFR tyrosine kinase inhibitors (Grad. Sch. Sci, Nagoya Univ.1,ITbM, Nagoya Univ.2) *Akihiro Kondo1, Kazuhiro Fujimoto2, Takeshi Yanai2 |
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Room E [Theory]
15:15-15:33
| 2E11 | Analysis of superionic conduction transitions in the fluorite structure using machine learning molecular dynamics (JAEA) *Keita Kobayashi, Hiroki Nakamura, Masahiko Okumura, Mitsuhiro Itakura, Masahiro Machida |
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15:33-15:51
| 2E12 | Dynamical Correlation between Spin Configurations and Alkali Metal Ions' Diffusion in Prussian Blue Crystals Clarified by A First-Principles Calculations (Grad. School of Adv. Sci. Eng., Waseda Univ.1,Lab. Chem. Life Sci., Science Tokyo2,Faculty of Sci., Yamagata Univ.3) *Dan Ito1,2, Hideo Ando3, Toshiyuki Momma1, Yoshitaka Tateyama2,1 |
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15:51-16:09
| 2E13 | Theoretical Study on Adsorption of Carbon Dioxide and Acetylene to Mn-based PCP: Origin of Stochastic and Non-stochastic Adsorption Behavior (Chinese Academy of Sciences1,School of Engineering, Nagoya University2,iCeMS, Kyoto University3) Jiajia Zheng1, Shinpei Kusaka2, Ryoutarou Matsuda2, Susumu Kitagawa3, *Shigeyoshi Sakaki3 |
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16:27-16:45
| 2E15 | Neural Network-Assisted Improvements and Applications of QM/MM Calculations in Solution Systems (Department of Chemistry, Faculty of Science, Kyushu University) Takuma Ikeda, Saori Yoshimura, *Hiroshi Watanabe, Haruyuki Nakano |
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16:45-17:03
| 2E16 | Development of machine learning potentials for aqueous systems based on a hybrid functional and application to evaluation of transport properties (Graduate School of Engineering, The University of Tokyo) *Tatsushi Ikeda, Akira Nakayama |
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