Monday, September 20 (13:20 - 15:00)
The number before P in the Presentation Number indicates whether the poster presentation is given on the 1st, 2nd, 3rd, or 4th day of the meeting.
Venue P
| 13:20-15:00 | 3P001 | Improvement in image resolution of a photofragment imaging apparatus using linear-type tandem reflectron (Graduate School of Science, Tohoku Univ.) *Yuri Ito, Mizuhiro Kominato, Yuji Nakashima, Fuminori Misaizu |
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| 13:20-15:00 | 3P002 | An infrared spectroscopy study of hydrogen bonded structures of protonated cyclic alcohol clusters (Graduate School of Science, Tohoku University1,Institute of Atomic and Molecular Sciences, Academia Sinica2) *Takahiro Shinkai1, Asuka Fujii1, Po-jen Hsu2, Jer-lai Kuo2 |
| 13:20-15:00 | 3P003 | Machine learning approach to predict control landscape maps: temperature dependence of laser-induced molecular three-dimensional alignment (Graduate School of Science, Tohoku Univ.) *Tomotaro Namba, Yukiyoshi Ohtsuki |
| 13:20-15:00 | 3P004 | Rotational wave packet of NO+ created upon ionization of NO in an intense femtosecond laser field (Graduate School of Arts and Sciences, The Univ. of Tokyo1,Komaba Institute for Science, The Univ. of Tokyo2) *Shinichi Fukahori1,2, Hirokazu Hasegawa1,2 |
| 13:20-15:00 | 3P005 | Development of long-arm interferometer for strong-field ultrahigh-resolution Fourier-transform spectroscopy with ppb precision (School of Science, the University of Tokyo) *Toshiaki Ando, Kana Yamada, Atsushi Iwasaki, Kaoru Yamanouchi |
| 13:20-15:00 | 3P006 | Cold ion trap infrared spectroscopy of LL and LD cyclodytyrosine -Proto/Alkali metal ion addition and optical isomerism - (School of Life Science and Technology, Tokyo Institute of Technology, Japan.1,Laboratory for Chemistry and Life Science, Tokyo Institute of Technology, Japan.2,School of Science, Tokyo Institute of Technology, Japan.3,CNRS, University of Paris-Saclay, France4,Institute of Innovative Research WRHI, Tokyo Institute of Technology, Japan.5) *Yosizawa Koki1,2, Keisuke Hirata3,2,5, Shun-ichi Ishiuchi3,2,5, Anne Zehnacker-rentien4,5, Masaaki Fujii1,2,5 |
| 13:20-15:00 | 3P007 | Rotational spectroscopy of unsaturated hydrocarbon dimers by time-resolved Coulomb explosion imaging (Department of Chemistry, Tokyo Tech1,Department of Chemistry, School of Science, Kitasato Univ2) *Yuya Tobata1, Kenta Mizuse2,1, Yasuhiro Ohshima1 |
| 13:20-15:00 | 3P008 | Development of cavity enhanced absorption Spectrometer and detection of higher overtone by stretching vibration in near infrared area (Faculty of Science, Tokyo University of Science1,RIKEN2) *Takeru Sato1, Izuru Fukuda1, Mitsunori Araki1, Takahiro Oyama2, Shoma Hoshino1, Koichi Tsukiyama1 |
| 13:20-15:00 | 3P009 | Observation of enantioselective rotational wave packets of chiral molecules by a multi-angle ion imaging apparatus (Kitasato University Faculty of Science1,Tokyo Institute of Technology School of Science2) *Ryo Kondo1, Kenta Mizuse1,2, Yuhei Oyagi2, Haruki Ishikawa1, Yasuhiro Ohshima2 |
| 13:20-15:00 | 3P010 | Fluorescence spectra of phenylethanol derivatives by supersonic jet spectroscopy (Grad. Sch. Sci. Eng., Aoyama Gakuin Univ.) *Hironari Nagasawa, Wataru Kashihara, Tadashi Suzuki |
| 13:20-15:00 | 3P011 | Spectroscopic study on cis-trans rotational isomers of two methoxy-groups diagonally substituted naphthalene (Graduate School of Engineering Nihon Univ.1,College of Engineering Nihon Univ.2) *Yu-ta Seki1, Yu-to Naganuma1, Katsuhiko Okuyama2 |
| 13:20-15:00 | 3P012 | High-resolution Laser Spectroscopy of 14NO2 and 15NO2 radicals (Kobe Univ.1,Kyoto Univ.2) *Shunji Kasahara1, Kazuho Norii1, Ikki Hosomi1, Honoka Minamide1, Kohei Tada2 |
| 13:20-15:00 | 3P013 | Synthesis of fully conjugated macrocyclic poly(3-Hexylthiophene) and its size-dependent optoelectronic and redox properties (Graduate School of Chemical Science & Engineering, Hokkaido Univ.1,Facility of Engineering, Hokkaido Univ.2) *Ryohei Sato1, Atsuo Utagawa1, Takuya Yamamoto2 |
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| 13:20-15:00 | 3P014 | Synthesis of luminescent cerium complex salts containing alkylimidazolium cations (Department of Sciences and Informatics) *Masatoshi Ozawa, Hiroto Sugawa, Toshifumi Iimori |
| 13:20-15:00 | 3P015 | Temperature and polarization dependences of hyper-Raman spectra of liquid water (Graduate School of Arts and Sciences, The University of Tokyo) *Kazuki Inoue, Masanari Okuno |
| 13:20-15:00 | 3P016 | Analysis of the effects of the functional molecule cyclodextrins on the radical reaction of edaravone and ketoprofen by tracking spectral components (Tokyo University of Science) *Ryosuke Hiroshige, Risa Ichii, Yuta Otsuka, Satoru Goto, Kosho Makino, Hideyo Takahashi |
| 13:20-15:00 | 3P017 | Photochromic properties of pyrene-based-biaryl-bridged imidazole dimer (Aoyama Gakuin Univ.) *Hiroki Ito, Katsuya Mutoh, Jiro Abe |
| 13:20-15:00 | 3P018 | Vibrational spectroscopic analysis of [3.3](4,4’)biphenylophane radical anion (Graduate School of Science and Engineering, Aoyama Gakuin University1,Faculty of Science and Engineering, Chuo University2) *Shunya Shiraishi1, Hajime Okajima2, Rintaro Shimada1, Akira Sakamoto1 |
| 13:20-15:00 | 3P019 | Effects of poly(ethylene glycol) on intermolecular vibrations of 1-methyl-3-octylimidazolium tetrafluoroborate (Department of Chemistry, Chiba Univ.) *Masatoshi Ando, Hideaki Shirota |
| 13:20-15:00 | 3P020 | Rotational dynamics and Proton transfer reaction of HPTS in ionic plastic crystal (Graduate School of Science and Engineering, Doshisha University1,Faculty of Science and Engineering, Doshisha University2) *Rei Watanabe1, Kaori Fuji2, Takatsugu Endo2, Yoshifumi Kimura1,2 |
| 13:20-15:00 | 3P021 | Ultrafast dynamics of cation-electron pairs formed by photoionization of aromatic compounds in solution phase (Graduate School of Engineering Science, Osaka Univ.1,The Institute of Scientific and Industrial Research, Osaka Univ.2) *Tomoya Sawada1, Masafumi Koga1, Hikaru Sotome1, Masao Gohdo2, Koichi Kan2, Yoichi Yoshida2, Syoji Ito1, Hiroshi Miyasaka1 |
| 13:20-15:00 | 3P022 | Effect of aromatic ring on vibrational frequency fluctuation of solutes in water studied by two-dimensional infrared spectroscopy (Graduate School of Science, Kobe Univ.1,Molecular Photoscience Research Center, Kobe Univ.2) *Yuki Fujii1, Masaki Okuda2, Kaoru Ohta1,2, Keisuke Tominaga1,2 |
| 13:20-15:00 | 3P023 | Solid-State Molecular Motion and Dielectric Response of Pseudorotaxane-type Supermolecular Cation (Graduate School of Environmental Science, Hokkaido Univ.1,RIES, Hokkaido Univ.2) *Koki Hirose1, Kiyonori Takahashi1,2, Kenta Kokado1,2, Rui-kang Huang1,2, Chen Xue1,2, Takayoshi Nakamura1,2 |
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| 13:20-15:00 | 3P024 | Synthesis of novel redox responsive polymers containing disulfide bonds. (Graduate School of Env.Science1,Research Institute for Electronic Science2) *Chao Wang1, Chen Xue1,2, Ruikang Huang1,2, Kiyonori Takahashi1,2, Kenta Kokado1,2, Takayoshi Nakamura1,2 |
| 13:20-15:00 | 3P025 | Fabrication of Phase-Change Memory using Glass-Crystal Transition of Halogen-substituted Isophthalamide Derivative (Graduate School of Engineering, Tohoku University1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University2) *Ryohei Mizoue1, Takashi Takeda1,2, Norihisa Hoshino1,2, Tomoyuki Akutagawa1,2 |
| 13:20-15:00 | 3P026 | Phase behavior and structural analysis in ammonium-based ionic liquid with a short alkyl chain showing plastic crystal state (Graduate School of Science, Chiba University, Japan1,Center for Analytical Instrumentation, Chiba University, Japan2,Science and Engineering, Doshisha University, Japan3,Toyota Physical & Chemical Research Institute, Japan4) *Taisei Yamada1, Kozo Fujii1, Hyuma Masu2, Takatsugu Endo3, Keiko Nishikawa4, Takeshi Morita1 |
| 13:20-15:00 | 3P027 | Modification of metal surface morphology by submicron focusing using ultrashort EUV pulses (School of Science, The University of Tokyo1,School of Engineering, The University of Tokyo2) *Hiroto Motoyama1, Atsushi Iwasaki1, Hidekazu Mimura2, Kaoru Yamanouchi1 |
| 13:20-15:00 | 3P028 | Synthesis of a novel covalent organic framework having amino acids through thiol-ene reaction (Graduate School of Science, Tokyo University of Science) *Takahiro Sakurai, Masaaki Sadakiyo |
| 13:20-15:00 | 3P029 | Ultra-fast dynamics of organic semiconductor BP1T-CN crystalsunder laser oscillation conditions (Graduate School of Science and Technology, Nara Institute of Science and Technology.) *Yusuke Asai, Wataru Yosida, Hiroyuki Katsuki, Hisao Yanagi |
| 13:20-15:00 | 3P030 | Theoretical study on magnetic anisotropy of double-decker bis(phthalocyaninato) terbium(III) complex (Graduate School of Engineering Science, Osaka Univ.1,CNRS, Osaka Univ.2,QIQB, Osaka Univ.3,RCSEC, Osaka Univ.4,Graduate School of Science, Josai Univ.5,Graduate School of Science, Tohoku Univ.6,ICS, Osaka Univ.7) *Yasutaka Kitagawa1,2,3,4, Keigo Cho1, Keiichi Katoh5, Masahiro Yamashita6, Masayoshi Nakano1,2,3,4,7 |
| 13:20-15:00 | 3P031 | Theoretical studies on electronic properties in iron-oxo porphyrin model complex by hybrid-DFT and CAS-based methods (Grad. Sch. Science, Osaka Univ.1,RIKEN R-CCS2,ISIR, Osaka Univ.3) *Marie Tsuchikawa1, Takashi Kawakami1,2, Koichi Miyagawa3, Shusuke Yamanaka1, Mitsutaka Okumura1, Takahito Nakajima2, Kizashi Yamaguchi3 |
| 13:20-15:00 | 3P032 | Evaluation of piezoelectricity of Preyssler-type polyoxometalate exhibiting properties of a single-molecule electret (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,CResCent, Hiroshima Univ.2,IAMR, Hiroshima Univ.3,PREST JST4) *Hidetoshi Kurihara1, Masaru Fujibayashi1, Chisato Katou1, Goulven Cosquer1,2, Katsuya Inoue1,2,3, Sadafumi Nishihara1,2,3,4 |
| 13:20-15:00 | 3P033 | Photochromic reaction of spironaphthoxazine nanoparticles under dense photoexcitation (Graduate School of Science and Engineering, Ehime Univ.) *Yukihide Ishibashi, Atsushi Nshimoto, Tsuyoshi Asahi |
| 13:20-15:00 | 3P034 | Light-induced dielectric permittivity of Co(III) nitrite complex exhibiting linkage isomerization (Graduate School of Siences and Technology for Innovation) *Shinkiro Chinen, Ryo Tsunashima |
| 13:20-15:00 | 3P035 | Synthesis of novel charge-transfer complexes with a two-dimensional layered structure based on TNP , a propeller-shaped molecule (Graduate School of advanced Science, Kumamoto Univ.) *Yuta Matsumoto, Akira Ueda |
| 13:20-15:00 | 3P036 | Fabrication of chiral molecular unit Fe(1,2-Nc-C4h)L1L2 (Nc = naphthalocyanine) (Graduate School of Science and Technology, Kumamoto Univ.1,Faculty of Advanced Science and Technology, Kumamoto Univ.2) *Yurie Ogata1, Masaki Matsuda2 |
| 13:20-15:00 | 3P037 | Redox Reactions of Isolated Ferrocene Derivatives Observed by Electrochemical Scanning Tunneling Microscope (RIKEN1,School of Frontier Sciences, The University of Tokyo2) *Yuzu Kobayashi1,2, Misun Hong1, Raymond Wong1, Yasuyuki Yokota1, Junichi Takeya2, Yousoo Kim1 |
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| 13:20-15:00 | 3P038 | Observation of the current-induced luminescence of pentacene derivative with scanning tunneling microscopy (Graduate School of Science, Univ. Hyogo) *Norihiro Aiga, Satoshi Takeuchi |
| 13:20-15:00 | 3P039 | Specific quenching of fluorescent dyes adsorbed on hydrophobic / hydrophilic fluorocarbon polymers (Tokyo University of Science) *Kengo Mitsuya, Satoru Goto, Yuta Otsuka, Yayoi Kawano, Chihiro Ozawa, Takehisa Hanawa |
| 13:20-15:00 | 3P040 | Effect of Self-Assembled Monolayer (SAM) on the charge injection phenomenon (Graduate School of Material Science, University of Hyogo) *Yuichi Omura, Hiroyuki Tajima, Tomofumi Kadoya |
| 13:20-15:00 | 3P041 | Inner Shell Spectroscopy of Charge Transfer Dynamics in Aromatic Thiol Molecules on Gold Nanoparticles (Graduate School of Science, Hiroshima Univ.1,KEK PF2,Graduate School of Advanced Science and Engineering, Hiroshima Univ.3,HiSOR, Hiroshima Univ.4) *Shogo Tendo1, Hirokazu Tanaka2, Jun-ichi Adachi2, Shin-ichi Wada3,4 |
| 13:20-15:00 | 3P042 | Scanning tunneling microscopy of hydrogen-bonded networks comprising terephthalamide molecules on graphite (0001) (Grad. Sch. Engin., Tokyo Univ. Agric. & Technol.) *Toshihide Kaneko, Hiroto Sato, Masaharu Hida, Hayato Sanada, Osamu Endo, Hiroyuki Ozaki |
| 13:20-15:00 | 3P043 | Microscopic Analysis of the SEI Layer Stability towards Optimizing Salt Concentration in Non-flammable Electrolyte: Role of Organic Layer on the Ductility of Salt-based SEI Layer (Graduate School of Informatics, Nagoya University1,ESICB, Kyoto University2,Future Value Creation Research Center, Nagoya University3) *Nisrine Sakaki1, Amine Bouibes1,2, Masataka Nagaoka1,2,3 |
| 13:20-15:00 | 3P044 | All-atom MD analysis of the crystal growth process in the presence of an additive: kinetics and energetics (Graduate School of Engineering Science, Osaka Univ.1,Graduate School of Information Science, Univ. of Hyogo2) *Senri Tanaka1, Kento Kasahara1, Yoshiki Ishii2, Nobuyuki Matubayasi1 |
| 13:20-15:00 | 3P045 | Recent progress for applying heterodyne-detected vibrational sum-frequency generation spectroscopy to liquid/liquid interfaces (Dept. Chem., Tokyo Univ. Sci.1,Water Frontier Research Center in TUS2) *Shu-hei Urashima1,2, Atushi Kitamura1, Hiroharu Yui1,2 |
[Clusters/particles/nanostructures]
| 13:20-15:00 | 3P046 | Impact of phosphine ligands on the excited-state relaxation processes of Au2Cu6 clusters (Dept. of Chemistry, College of Science, Rikkyo Univ.) *Daichi Arima, Yoshiki Niihori, Masaaki Mitsui |
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| 13:20-15:00 | 3P047 | Observation of molecular orientation in microdroplets and controlling the evaporation rate of microdroplets using a thermally insulated chamber (Graduate School of Science, Osaka City University) *Ryo Miyashita, Masaki Noguchi, Kota Kamei, Tomoyuki Yatsuhashi, Kenji Sakota |
| 13:20-15:00 | 3P048 | Reactions of iridium cation clusters with NO studied by gas phase temperature programmed desorption (College of Arts and Sciences, The University of Tokyo1,Graduate School of Arts and Sciences, The University of Tokyo2) *Keitaro Tatsukawa1, Toshiaki Nagata2, Ken Miyajima2, Fumitaka Mafune2 |
| 13:20-15:00 | 3P049 | Theoretical study on magnetic anisotropy of tris-acetylacetonate dysprosium(III) complex for single-molecule memory (Graduate School of Engineering Science, Osaka Univ.1,CSRN, Osaka Univ.2,QIQB, Osaka Univ.3,ICS, Osaka Univ.4,RCSEC, Osaka Univ.5) *Keigo Cho1, Naoka Amamizu1, Hiromasa Sato1, Yasutaka Kitagawa1,2,3,5, Masayoshi Nakano1,2,3,4,5 |
| 13:20-15:00 | 3P050 | Synthesis of icosahedral Au13 superatoms bearing coordination sites for metal ions (Graduate School of Science, The University of Tokyo1,ESICB, Kyoto University2) *Naoki Kito1, Shinjiro Takano1, Shinya Masuda1, Tatsuya Tsukuda1,2 |
| 13:20-15:00 | 3P051 | Ligand effects on catalysis of Au25L18 (L = thiolate, alkynyl): Electrochemical hydrogen evolution reaction (Graduate School of Science, University of Tokyo1,Department of Chemistry, UCR2) *Xiang Li1, Tongyu Liu2, Shinjiro Takano1, De-en Jiang2, Tatsuya Tsukuda1 |
| 13:20-15:00 | 3P052 | Preparation of WS2 2D materials by liquid phase exfoliation technique and attempts to make solid polymer composite films (Department of Sciences and Informatics, Muroran Tech.) *Riku Shoji, Toshifumi Iimori |
| 13:20-15:00 | 3P053 | Solvent dependence of hot electron relaxation in CdSe nanoplatelet-Au nanoparticle hybrid systems (Graduate School of Science and Technology, KWANSEI GAKUIN Univ.) *Ryoto Kako, Daichi Eguchi, Naoto Tamai |
| 13:20-15:00 | 3P054 | Single Particle Measurement by Gas Flow Controlled Ion Trap Ion Mobility and Observation of Gas Replacement Effect (Dept. of Chem. Toho Univ) *Kanata Oguri, Yohei Sekiguchi, Ryo Sasaki, Toshiki Sugai |
| 13:20-15:00 | 3P055 | Electronic states and reaction of Palladium clusters on organic substrates (Graduate School of Science. Keio Univ.) *Koh Shinomiya, Tomoya Inoue, Atsushi Nakajima |
| 13:20-15:00 | 3P056 | Proton transfer reactions of Lysozyme Ions in gas phase (Graduate School of Nanobioscience, Yokohama City Univ.) *Takaaki Iyama, Wataru Kadota, Juri Morishita, Yuto Yonebayashi, Hiroto Ohta, Satofumi Tago, Yasutaka Soga, Soju Tomiyama, Yurika Hayakawa, Shinji Nonose |
| 13:20-15:00 | 3P057 | Modulating selectivity of 1,3-dipolar cycloaddition by carbon nanotube confinements: A dispersion-corrected density functional theory (DFT) study (Kyoto Institute of Technology) *Shuta Fukuura, Takashi Yumura |
| 13:20-15:00 | 3P058 | Vibrational circular dichroism spectroscopy of amino acids in KBr pellets: comparison between in pellets and in solutions (Graduate School of Science and Engineering, Aoyama Gakuin University1,Faculty of Science and Engineering, Chuo University2) *Takeshi Iwase1, Hiroki Nakagawa1, Hajime Okajima2, Rintaro Shimada1, Akira Sakamoto1 |
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| 13:20-15:00 | 3P059 | Photoreaction dynamics of enzyme rhodopsin (Rh-GC) using time-resolved infrared spectroscopy (Nagoya Inst. Tech.1,Grad. Sch. Sci., Univ. Tokyo2) *Masahiro Sugiura1, Satoshi Tsunoda1, Haon Futamata2, Wataru Shihoya2, Osamu Nureki2, Hideki Kandori1, Yuji Furutani1 |
| 13:20-15:00 | 3P060 | Absorption spectra for firefly bioluminescence substrate analog: TokeOni in various pH solutions (Gunma Univ.1,Graduate School of Science and Technology, Gunma Univ.2,Institute for Solid Physics, The University of Tokyo3,Graduate School of Integrated Science and Technology, Shizuoka Univ.4,Graduate School of Informatics and Engineering, UEC5,Center for Neuroscience and Biomedical Engineering, UEC6,School of Pharmacy, Tokyo University of Pharmacy & Life Sciences7,AIST-UTokyo Advanced Operando-Measurement Technology Open Innovation Labo8,Gunma University Center for Food Science and Wellness9) Haruhisa Ogawa1, Ryohei Ono2,3, Yoshifumi Noguchi4, Nobuo Kitada5,6, Ryohei Moriya5,7, Shojiro Maki5,6, Hidefumi Akiyama3,8, Hideyuki Itabashi2,9, *Miyabi Hiyama2,9 |
| 13:20-15:00 | 3P061 | [Withdraw] |
| 13:20-15:00 | 3P062 | Raman imaging of liquid-liquid phase separation induced by oxidative stress in a cell (Faculty of Pharmaceutical Sciences, Tohoku Univ.) *Ren Shibuya, Shinji Kajimoto, Takakazu Nakabayashi |
| 13:20-15:00 | 3P063 | Photo-reaction dynamics of light sensor protein VVD (Graduate School of Science, Kyoto Univ.) *Takafumi Nakayama, Andrea Mussini, Yusuke Nakasone, Masahide Terazima |
| 13:20-15:00 | 3P064 | Evaluation of the stability and spatial distribution of proteins in microspace by fluorescence imaging (Graduate School of Science, Osaka City University) *Takumi Usuyama, Tomoyuki Yatsuhashi, Kenji Sakota |
| 13:20-15:00 | 3P065 | Factor analysis of error in redox potential calculation: a machine learning study (Graduate School of Science and Technology, Univ. of Tsukuba) *Yuki Kanamaru, Toru Matsui |
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| 13:20-15:00 | 3P066 | Develpment of matrix product state formulation of the multiconfiguration time-dependent Hartree (MPS-MCTDH) theory in general form of vibrational potential. (Graduate School of Science, Kyoto Univ.) *Kentaro Hino, Yuki Kurashige |
| 13:20-15:00 | 3P067 | Prediction of liquid phase acidity for in silico design of super acids with quantum chemical calculations and machine learning (Department of Applied Chemistry, Faculty of Science and Engineering, Chuo University,1,JST ACT-X2,Department of Theoretical and Computational Molecular Science, Institute for Molecular Science3) *Rima Suzuki1, Nahoko Kuroki1,2, Hirotoshi Mori1,3 |
| 13:20-15:00 | 3P068 | Theoretical study on the reaction mechanism of the phenol-epoxide curing reaction using bismaleimide (e g. Graduate School of Science, Yamaguchi Univ.) *Kurumu Uryu, Michinori Sumimoto |
| 13:20-15:00 | 3P069 | A periodic QM/MM study on vapochromism of Ni(Ⅱ)-quinonoid complex (Tokyo Metropolitan Univ.1,Idemitsu Kosan Co., Ltd.2,FIFC, Kyoto Univ.3,ESIBC, Kyoto Univ.4,Kwansei Gakuin Univ.5) *Kaito Nomiya1, Naoki Nakatani1, Masayuki Nakagaki2, Shigeyoshi Sakaki3,4, Masako Katou5, Masahiko Hada1 |
| 13:20-15:00 | 3P070 | Construction of a Hamiltonian system with reduced degrees of freedom extracted by principal component analysis (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Research Institute for Electronic Science, Hokkaido Univ.2,Graduate School of Science, Hokkaido Univ.3,Institute for Chemical Reaction Design and Discovery, Hokkaido Univ.4,JST PRESTO Researcher, Japan Science and Technology Agency5) *Ryoichi Tanaka1, Yuta Mizuno2,4,5, Takuro Tsutsumi3, Mikhail Tsitsvero4, Tetsuya Taketsugu3,4, Tamiki Komatsuzaki2,4 |
| 13:20-15:00 | 3P071 | Variational quantum circuits of multi-reference unitary coupled cluster (Graduate School of System Informatics, Kobe Univ.1,Graduate Scool of Science, Technology, Innovation, Kobe Univ.2,JST PRESTO3) *Yuto Mori1, Seiichiro Tenno2,1, Takashi Tsuchimochi1,3 |
| 13:20-15:00 | 3P072 | Density of states analysis of atomic adsorption on metal surfaces using machine learning (Graduate School of Nanobioscience, Yokohama City Univ.1,Graduate School of Advanced Science and Engineering, Hiroshima Univ.2,Graduate School of Data Science, Yokohama City Univ.3) *Wakana Ogita1, David samuel Rivera rocabado1, Tomomi Shimazaki1, Takayoshi Ishimoto2, Masanori Tachikawa3 |
| 13:20-15:00 | 3P073 | Dependence of N2+ lasing on the ionization timing in strong laser field (Graduate School of Science, University of Tokyo) *Youyuan Zhang, Erik Lötstedt, Kaoru Yamanouchi |
| 13:20-15:00 | 3P074 | Quantum simulation of two-dimensional infrared-Raman and Raman spectroscopies for inter molecular and intramolecular modes of liquid water (Graduate School of Science, Kyoto Univ.) *Hideaki Takahashi, Yoshitaka Tanimura |
| 13:20-15:00 | 3P075 | Precise atomic Hartree-Fock calculations using Lambda functions (IASAI, Chukyo Univ.) Yasuyo Hatano, *Shigeyoshi Yamamoto |
| 13:20-15:00 | 3P076 | XAS measurements of sugar molecules in liquid phase: Interaction between sugar molecules and solvent (GSFS, Univ. of Tokyo1,Institute for Molecular Science2,Japan Atomic Energy Agency3) *Daisuke Akazawa1,3, Takehiko Sasaki1, Masanari Nagasaka2, Motoyuki Shiga3 |
| 13:20-15:00 | 3P077 | Non-radiative decay pathway of hydroxyphenylbenzothiazole (Graduate School of Science Kyushu University) *Satoshi Suzuki, Haruyuki Nakano |
| 13:20-15:00 | 3P078 | Theoretical study on applications of valence configuration interaction models to electronic structures of open-shell molecular dimers (Graduate School of Engineering Science, Osaka Univ.1,QIQB, Osaka Univ.2,RCSEC, Osaka Univ.3,ICS, Osaka Univ.4,CSRN, Osaka Univ.5) *Ryohei Kishi1,2,3, Wataru Yoshida1, Masako Yokoyama1, Yosuke Shimizu1, Masato Ikeuchi1, Jinki Shoda1, Naoki Shirai1, Masayoshi Nakano1,2,3,4,5 |
| 13:20-15:00 | 3P079 | Theoretical study on singlet fission induced nonlinear optical property of diazadibora-substituted dicyclopenta-fused acene systems (Graduate School of Engineering Science, Osaka University1,Center for Spintronics Research Network(CSRN), Osaka University2,Center for Quantum Information and Quantum Biology(QIQB), Osaka University3,Innovative Catalysis Science Division(ICS), Osaka University4,Research Center for Solar Energy Chemistry (RCSEC), Osaka University5) *Ryota Sugimori1, Takayoshi Tonami1, Ryota Sakai1, Masayoshi Nakano1,2,3,4,5 |
| 13:20-15:00 | 3P080 | Crystal structure prediction by generalized scaled hypersphere search method focusing on packing fraction (Graduate School of Systems Engineering, Wakayama Univ.1,Faculty of Systems Engineering, Wakayama Univ.2) *Hideo Yamakado1,2, Yuuki Midoro1, Takuto Oki1, Yoshiki Ueda2 |
| 13:20-15:00 | 3P081 | Machine learning for lead-free perovskite solar cells (Graduate School of Science, Japan Women's Univ.1,Elements Strategy Initiative for Catalysts and Batteries, Kyoto University2) *Suzune Omori1, Hinako Hatanaka1, Masanori Kaneko2, Koichi Yamashita2, Azusa Muraoka1 |
| 13:20-15:00 | 3P082 | Theoretical study on dissociation of dimethyl sulfide with optical near-field (Graduate School of Chemical Science and Engineering, Hokkaido University,Japan1,Department of Chemistry, Faculty of science, Hokkaido University.Japan2,WPI-ICReDD,Hokkaido University3,JST-PRESTO4) *Keijiro Toda1, Takeshi Iwasa2,3,4, Tetsuya Taketsugu2,3 |
| 13:20-15:00 | 3P083 | Adsorption simulation of gold nanosheets and cyclic polyethylene glycol (School of Engineering, Hokkaido Univ.1,Graduate School of Chemical Science and Engineering, Hokkaido Univ.2,Faculty of Engineering, Hokkaido Univ.3) *Tsuyoshi Nakai1, Shotaro Yoshitomi2, Yubo Wang2, Takuya Yamamoto2,3, Shin-ichiro Sato2,3 |
| 13:20-15:00 | 3P084 | Development of analytically expressible complex absorption potential for solid model systems (Department of Engineering, Kyoto University1,Department of Liberal Arts, The Open University of Japan2,Elements strategy Initiative for Catalysis and Batteries, Kyoto University3,Fukui Institute for Fundamental Chemistry, Kyoto University4) *Kosuke Imamura1, Tomokazu Yasuike2,3, Hirofumi Sato1,3,4 |
| 13:20-15:00 | 3P085 | Density functional theory calculation for Structural stability of composite materials of Carbon nanotubes and Macrocyclic molecules (Kyoto Institute of Technology) *Nobuyuki Sugimori, Takashi Yumura |
| 13:20-15:00 | 3P086 | Theoretical study on effects of hydrated ion and adjacent water molecules on the strength of hydrogen bond in the Li+(H2O)n(n=1-7) clusters (Graduate School of Engineering, Chiba Institute of Technology1,Institute for Molecular Science2) *Tatsuya Furukawa1, Suehiro Iwata2, Hidenori Matsuzawa1 |
| 13:20-15:00 | 3P087 | Theoretical investigation of the activation of CH4 catalyzed by Rh doped Co cluster (Graduate School of Chemical Sci. and Eng., Hokkaido Univ.1,Institute for Catalysis, Hokkaido Univ.2) *Ryota Hara1, Min Gao2, Hirokazu Kobayashi2, Atsushi Fukuoka2, Jun-ya Hasegawa2 |
| 13:20-15:00 | 3P088 | Force field model of metal incorpolating classical electron dynamics: photo-absorption and energy relaxation of metal nanoparticle by molecular simulation. (University of Tsukuba) *Atushi Yamada |
| 13:20-15:00 | 3P089 | Theoretical study on excitation energy of chlorophyll a and b in solutions with density functional theory (Institute for Molecular Science1,Graduate school of Engineering, Kyoto University2,School of Physical Sciences, Sokendai3) *Zhe Zhu3, Masahiro Higashi2, Shinji Saito1,3 |
| 13:20-15:00 | 3P090 | Enhancements of ABINIT-MP program for huge systems (Rikkyo Univ., School of Science1,Univ. Tokyo, IIS2,NIHS3,NEC Solution Innoveters Ltd.4,FOCUS5,HPC Systems Inc.6,Nagoya Univ., Information and Communications7) *Yuji Mochizuki1,2, Tatsuya Nakano3, Shinya Sato4, Kota Sakakura5, Hiromasa Watanabe6, Koji Okuwaki1, Satoshi Ohshima7, Takahiro Katagiri7 |
| 13:20-15:00 | 3P091 | Relativistic DFT calculations of changes in NMR chemical shifts in aqueous solutions of heavy metal nitrates (Graduate School of Informatics and Engineering, The Univ of Electro-Communications) *Yoshimitsu Asakura, Daisuke Kuwahara, Naoya Nakagawa |