Poster Sessions
Friday, September 27 (Starting at 13:00)
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.
[Gas phase]
| 13:00-14:50 | 4P001 |
Pump-probe photoelectron spectroscopy of Kr atom by 90-nm vacuum-ultraviolet ultrashort pulse （Graduate School of Science, Kyoto Univ.1，RIKEN2）Shunsuke Adachi1，*Motoki Sato1，Toshinori Suzuki1, 2 |
| 13:00-14:50 | 4P002 |
Chirality discrimination in photodissociation of oriented chiral molecule （Perugia Univ.1，National Taiwan Univ.2，Institute of Atomic and Molecular Sciences3，Osaka Univ.4）Federico Palazzetti1，Po-Yu Tsai2, 3，Andrea Lombardi1，Masaaki Nakamura2，*Dock-Chil Che4，Toshio Kasai2，King-Chuen Lin2, 3，Vincenzo Aquilanti1 |
| 13:00-14:50 | 4P003 |
Nonadiabatic ab initio Molecular Dynamics for photoisomerization of of 6-Azauracil （Faculty of Science and Technology, Sophia Univ.1，Individual2）Tatsuhiro Murakami1，*Shiori Maeda1，Toshimasa Ishida2，Shinkoh Nanbu1 |
| 13:00-14:50 | 4P004 |
Theoretical study of sulfur trioxide photochemical reaction and sulfur isotope fractionation （Science and Engineering, Sophia Univ.1，Science, Niigata Univ.2，individual3）*Tomoya Suzuki1，Danielache Sebastian1，Kumiko Ikeda1，Ikuo Tokue2，Toshimasa Ishida3，Shinkoh Nanbu1 |
| 13:00-14:50 | 4P005 |
Multi-Dimensional Stereo Dynamics in the Rg*(3 P2,MJ =2)+NF 3 reaction （Graduate School of Science, Osaka Univ.）*Yusuke Matsuura，Hiroshi Ohoyama |
| 13:00-14:50 | 4P006 |
Dynamics study of the selectivity in the CN + CH2O reaction （Graduate School of Science and Engineering, Saitama Univ.）*Sachie Chiba，Tomohiro Honda，Toshiyuki Takayanagi |
| 13:00-14:50 | 4P007 |
Theoretical study on the formation mechanism of the NS radical molecule in interstellar space （Graduate School of Science and Engineering, Saitama Univ.）*Kazuma Sato，Takehiro Yoshikawa，Toshiyuki Takayanagi |
| 13:00-14:50 | 4P008 |
Theoretical study of vibrational bonding in Br-Mu-Br （Graduate School of Science and Engineering, Saitama Univ.）*Tomohiro Honda，Kazuma Sato，Takehiro Yoshikawa，Toshiyuki Takayanagi |
| 13:00-14:50 | 4P009 |
A new charged particle imaging configuration and its application in molecular dynamics （Institute for Molecuar Science, SOKENDAI）*Kenta Mizuse，Yasuhiro Ohshima |
| 13:00-14:50 | 4P010 |
Ab initio reaction paths in photolysis of nitromethane （Kyoto Universiry1，Hokkaido University2，Emory University3）*Miho Isegawa1，Fengy Liu1，Satoshi Maeda2，Keiji Morokuma1, 3 |
| 13:00-14:50 | 4P011 |
Development and performance test of a tabletop electrostatic ion storage ring （Tokyo Metropolitan Univ）*Koudai Gouda，Jun Matsumoto，Haruo Shiromaru |
| 13:00-14:50 | 4P012 |
Spectroscopic investigation on the temperature effect on the structure of the hydrogen-bonded cluster cation in the temperature-variable ion trap （School of Science, Kitasato Univ.）*Reona Yagi，Yasutoshi Kasahara，Haruki Ishikawa |
| 13:00-14:50 | 4P013 |
A study on cold laser spectroscopy of ion encapsulated complexes （Guraduate School of Science, Hiroshima Univ.）*Kazuki Soga，Takayuki Ebata，Yoshiya Inokuchi |
| 13:00-14:50 | 4P014 |
Formation of Ultra-cold Ions and its Application to Gas-phase NMR Spectroscopy （Graduate School of Science, Kobe Univ.1，IMS2，Ayabo3）*Kiyokazu Fuke1，Takaya Yamanaka2，Masahide Tona3，Takayuki Yano2，Yasuhiro Oshima2 |
| 13:00-14:50 | 4P015 |
Construction of a photodissociation spectrometer for mass-selected and temperatue-controlled hydrogen-bonded cluster ions （Graduate School of Science, Osaka Prefecture Univ.）*Takashi Sato，Akimasa Fujihara，Shigeo Hayakawa |
| 13:00-14:50 | 4P016 |
Simulation for molecular axis alignment by THz light pulse train （JAEA）*Masaaki Tsubouchi，Takayuki Kumada |
| 13:00-14:50 | 4P017 |
Effect of ro-vibrational coupling on rotational wavepacket of N2 （JAEA1，U. Tokyo2，IMS3）*Atsushi Yokoyama1，Hiroshi Akagi1，Takayuki Kumada1，Ryuji Itakura1，Hirokazu Hasegawa2，Yasuhiro Ohshima3 |
| 13:00-14:50 | 4P018 |
Isotope-selective rotational excitation with a sequence of femto-second laser pulses （JAEA KPSI1，Univ. of Tokyo2，IMS3）*Hiroshi Akagi1，Tatsuya Kasajima1，Takayuki Kumada1，Ryuji Itakura1，Atsushi Yokoyama1，Hirokazu Hasegawa2，Yasuhiro Ohshima3 |
| 13:00-14:50 | 4P019 |
Wavepacket of correlated photoelectron and ion core in ultrafast multichannel photoionization （JAEA KPSI1，Graduate School of Science, Nagoya Univ.2，College of Sci. & Tech., Nihon Univ3）*Ryuji Itakura1，Mizuho Fushitani2，Akiyoshi Hishikawa2，Tokuei Sako3 |
| 13:00-14:50 | 4P020 |
Branching into two spin-orbit levels in ionization of Kr and Xe in intense UV laser fields （JAEA, KPSI）*Motoyoshi Nakano，Tomohito Otobe，Ryuji Itakura |
| 13:00-14:50 | 4P021 |
Potential energy and vibrational levels of the Yb2 molecule （Technical Division, Institute for Molecular Science1，Graduate School of Science, Kyoto University.2）*Takaya Yamanaka1，Masaaki Baba2，Toshiharu Katori2，Megumi Kawabata2，Sachi Kunishige2，Yosuke Takasu2，Yoshiro Takahashi2 |
| 13:00-14:50 | 4P022 |
Electronic excited states and excited state dynamics of catacondensed hydrocarbons （Graduate School of Science,Kyoto University1，Institute for Molecular Science2）*Toshiharu Katori1，Megumi Kawabata1，Masaaki Baba1，Sachi Kunishige1，Takaya Yamanaka2 |
| 13:00-14:50 | 4P023 |
Study on triplet state of SO2 by high-resolution phosphorescence excitation spectroscopy （Graduate School of Science, Kyoto Univ.1，Institute for Molecular Science2）*Hiroo Suzaki1，Akihiro Maruyama1，Masaaki Baba1，Toshiharu Katori1，Megumi Kawabata1，Sachi Kunishige1，Masato Hayashi2，Yasuhiro Ohshima2 |
| 13:00-14:50 | 4P024 |
Photophysics of a thione molecule in the vapor phase （Hiroshima Univ.）*Takao Itoh |
[Clusters/Particles/Nanostructures]
| 13:00-14:50 | 4P025 |
Aerobic oxidation of methanol on Au8- cluster by the CR-CC(2,3) and DFT calculations （Mishigan State University1，Institute for Molecular Science2，Research Center for Computational Science3，Kyoto University, ESICB4）Jared Hansen1，*Masahiro Ehara2, 3, 4，Piotr Piecuch1 |
| 13:00-14:50 | 4P026 |
Theoretical study for optical properties of polynuclear gold cluster complexes （Osaka Univ.）*Sachio Hayashi，Kohei Tada，Kohei Sakata，Yasutaka Kitagawa，Takashi Kawakami，Shusuke Yamanaka，Mitsutaka Okumura |
| 13:00-14:50 | 4P027 |
Tip-enhanced Raman Spectroscopic study of local structures of epitaxial graphene grown on SiC （Department of Chemistry, School of Science and Technology, Kwansei Gakuin University1，Department of Physics, School of Science and Technology, Kwansei Gakuin University2）*Sanpon Vantasin1，Toshiaki Suzuki1，Yasunori Kutsuma2，Koji Ashida2，Tadaaki Kaneko2，Yukihiro Ozaki1 |
| 13:00-14:50 | 4P028 |
Space-resolved Raman and transient absorption microspectroscopy of carbon nanotube-gold nanoparticle systems （Graduate School of Science and Technology, Kwansei Gakuin University）*Takuya SAKAGUCHI，Naoto Tamai |
| 13:00-14:50 | 4P029 |
Exciton spin dynamics in quantum dots by pump-probe spectroscopy （Kwanseigakuin University）*Kazuaki TAHARA，Tomoki OKUHATA，Naoto TAMAI |
| 13:00-14:50 | 4P030 |
Exciton dynamics of CdTe QDs on epitaxial graphene by time-resolved laser spectroscopy and single particle spectroscopy. （Graduate School of Science and Technology, Kwansei Gakuin Univ.）*Takuya Hirose，Tomoki Okuhata，Yasunori Kutuma，Tadaaki Kaneko，Naoto Tamai |
| 13:00-14:50 | 4P031 |
A theoretical study on the adsorption mechanism of oxygen molecules to small Au clusters （Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1，Graduate School of Science, Hokkaido Univ.2，ESICB, Kyoto Univ.3）*Daisuke Horita1，Min Gao2，Yuriko Ono2，Andrey Lyalin3，Satoshi Maeda2, 3，Tetsuya Taketsugu2, 3 |
| 13:00-14:50 | 4P032 |
Mono-dispersion of single-wall carbon nanotubes prepared by using NiY-carbon composite rod （Faculty of Science, Kyoto Sangyo University1，Department of Engineering, Kanagawa University2，Graduate School of Science and Engineering, Tokyo Metropolitan university3）*Shinzo Suzuki1，Naoki Kanazawa1，Shinji Oogami1，Yu Tanaka1，Kyohei Nagao1，Daiki Miyazaki1，Akira Yamasaki1，Akira Ono2，Yohji Achiba3 |
| 13:00-14:50 | 4P033 |
A theoretical study on redox potential of metallothionein （AICS, RIKEN）*Toru Matsui，Takahito Nakajima |
| 13:00-14:50 | 4P034 |
Density functional theory calculations on migration behaviors of carbon dioxide contained in layered structure of graphene oxides （Kyoto Institute of Technology）*Ayumi Yamasaki，Takashi Yumura，Hisayoshi Kobayashi |
| 13:00-14:50 | 4P035 |
Improvement on stability of organolanthanide multiple-decker sandwich clusters by chemical modification （Keio Univ.1，JST-ERATO2）*Rion Sugiyama1，Takashi Tsuji1, 2，Kenshiro Kawasaki1，Hironori Tsunoyama1, 2，Atsushi Nakajima1, 2 |
| 13:00-14:50 | 4P036 |
Crystal structures and electronic structure modulations by ligand change in platinum-rhodium one-dimensional multinuclear complexes （Gifu Univ.）*Yuko Sugiyama，Kazuhiro Uemura，Erina Yasuda，Masahiro Ebihara |
| 13:00-14:50 | 4P037 |
Crystal and electronic structures of amidate-bridged Pt – Rh one-dimensional complexes （Gifu Univ.）*Toru Kanbara，Kazuhiro Uemura，Masahiro Ebihara |
| 13:00-14:50 | 4P038 |
Crystal structures and spin states of pivalamidate-Bridged Pt-Fe complexes with metal-metal bonds （Gifu Univ.）*Maahiro Taoka，Kazuhiro Uemura，Masahiro Ebihara |
| 13:00-14:50 | 4P039 |
Influence of water molecules in the stabilization of carbon dioxide inside imogolite （Kyoto Institute of Technology）*Suguru Ito，Takashi Yumura，Hisayoshi Kobayashi |
| 13:00-14:50 | 4P040 |
Kinetic consideration for the photoinduced reaction of polyyne and iodine molecules in hexane （School of Science and Engineering, Kinki Univ.）*Yoriko Wada，Tomonari Wakabayashi |
| 13:00-14:50 | 4P041 |
Single-particle detections using low-aspect-ratio micro-pore devices （ISIR, Osaka Univ.）*Akihide Arima，Makusu Tsutsui，Masateru Taniguchi |
| 13:00-14:50 | 4P042 |
Generation of Aluminum-Boron binary nanoclusters based on high power impulse magnetron sputtering （Keio Univ.1，JST-ERATO2）*Tomomi Nagase1，Shoichiro Suga1，Hiroki Akatsuka1，Zhang Chuhang1, 2，Hironori Tsunoyama1, 2，Atsushi Nakajima1, 2 |
| 13:00-14:50 | 4P043 |
Fluorescence behavior of single Nile Red molecule dispersed in polymer thin films （Kyoto Inst. of Tech.）*Yuki Tamashiro，Shinjiro Machida，Noriaki Ikeda |
| 13:00-14:50 | 4P044 |
Catalytic activity of size-selected noble metal nanoclusters soft-landed on metal oxide surfaces （Keio Univ.1，JST-ERATO2）*Hiroki Sekiya1，Ryota Kobayashi1，Hironori Tsunoyama1, 2，Masato Nakaya1, 2，Toyoaki Eguchi1, 2，Atsushi Nakajima1, 2 |
[Solid phase]
| 13:00-14:50 | 4P045 |
Development of a system for action spectra of excited states dynamics in organic solids by mode-selective non-local phonon excitation （Kyoto Univ.1，Tokyo Univ.2）*Kiyoshi Miyata1，Shunsuke Tanaka1，Toshiki Sugimoto1，Kazuya Watanabe1，Takafumi Uemura2，Jun Takeya2，Yoshiyasu Matsumoto1 |
| 13:00-14:50 | 4P046 |
The dynamics of the electronic excited states in the C10 - DNTT thin films （Kyoto Univ.1，Tokyo Univ.2，Hiroshima Univ.3，NIPPON KAYAKU4）*Shunsuke Tanaka1，Kiyoshi Miyata1，Toshiki Sugimoto1，Kazuya Watanabe1，Takafumi Uemura2，Myeong Kang3，Kazuo Takimiya3，Hirokazu Kuwabara4，Masahiro Hamada4，Jun-ichi Takeya2，Yoshiyasu Matsumoto1 |
| 13:00-14:50 | 4P047 |
Structural and Physical Properties of Molecular Conductors Derived from (S,S)-DMDT-MOT and (S,S)-EODM-TTP （Graduate School of science, Hyogo Univ.）*Masaki Ota，Hiroki Akutsu，Shin-ichi Nakatsuji，Jun-ichi Yamada |
| 13:00-14:50 | 4P048 |
Structure and properties of ferrocene derivative anion C5H5FeC5H4-CH(CH3)NHCOCH2SO3- and its charge transfer salts （University of Hyogo）*Ryuichiro Hashimoto，Hiroki Akutsu，Jun-ichi Yamada，Shinichi Nakatsuji |
| 13:00-14:50 | 4P049 |
Structures and properties of dianions of 2,5-dimethyl-1,4-phenylenedisulfoacetamide and its quninonedimine derivative and their charge-transfer salts （University of Hyogo）Yuki Takigawa，*Hiroki Akutsu，Jun-ichi Yamada，Shinichi Nakatsuji |
| 13:00-14:50 | 4P050 |
Development of new functional materials based on TTF-benzothiazole hybrid molecules having alkyne spacers （Grad. School of Sci., Osaka Pref. Univ.）*Shohei Taniguchi，Rika Omae，Sadayoshi Hayashi，Keijiro Tsujimoto，Hideki Fujiwara |
| 13:00-14:50 | 4P051 |
f-pi interaction in excited states of porphyrin double-decker lanthanide single-molecule magnets （Graduate School of Science, Osaka Univ.）*Yudai Nakae，Akira Fuyuhiro，Takamitsu Fukuda，Naoto Ishikawa |
| 13:00-14:50 | 4P052 |
Crystal structures and physical properties of novel anionic spin crossover complexes （Kobe Univ.1，Kobe Univ.2，Kobe Univ.3，Keio Univ.4）*Kiko Kawamukai1，Kazuyuki Takahashi1，Takahiro Sakurai2，Hitoshi Ohta3，Takashi Yamamoto4，Yasuaki Einaga4 |
| 13:00-14:50 | 4P053 |
Electronic structures and magnetic properties of novel indole trimers carrying 3 nitronyl nitroxides （Graduate School of Science, Nagoya Univ.1，Research Center for Materials Science2）*Yudai Ishii1，Michio M. MATSUSHITA1，Kunio Awaga1, 2 |
| 13:00-14:50 | 4P054 |
Study on S = 3/2 triradicals having a 5-biphenyl-1,3-phenylene bridge （UEC）*Akira Nozawa，Takayuki Ishida |
| 13:00-14:50 | 4P055 |
Structures and Properties of Organic Radical Compounds containing a Disulfide Bond （University of Hyogo1，Murata Manufacturing Co.2）*Koki Fujikura1，Hiroki Akutsu1，Jun-ichi Yamada1，Masaharu Satoh2，shinichi Nakatsuji1 |
| 13:00-14:50 | 4P056 |
Structures and properties of new organic dye radical salts （University of Hyogo）*Yuta Kawahara，Hiroki Akutsu，Jun-ichi Yamada，Shinichi Nakatsuji |
| 13:00-14:50 | 4P057 |
Carrier Injection into Strongly-Correlated Electron Systems of Thiazyl Radicals （Graduate School of Science, Nagoya Univ.1，Research Center for Materials Science, Nagoya Univ.2，Graduate School of Engineering, Osaka Univ.3）*Asato Mizuno1，Michio Matsushista1，Kunio Awaga2，Daisuke Sakamaki3，Shuhei Seki3 |
| 13:00-14:50 | 4P058 |
Giant thermoelectric effect and molecular simulation study of fullerene （Nara Institute of Science and Technology）*Hirotaka Kojima，Yasuyuki Tomatsu，Ryo Abe，Mitsuhiro Ito，Ryosuke Matsubara，Masakazu Nakamura |
[Surface/Interface]
| 13:00-14:50 | 4P059 |
Two dimensional fractal pattern of Au thin film on SiO2/Si(100) observed by PEEM （Graduate School of Engineering,Yokohama National University1，Graduate School of Arts and Sciences, The University of Tokyo2，The Institute of Scientific and Industrial Reserch, Osaka Univ.3）*Tetsuhiro Yamaguchi1，Yuya Motai2，Shimon Mihara2，Koji Mizuno2，Masaru Aoki2，Kenichi Shudo1，Hikaru Kobayashi3，Shigeru Masuda2 |
| 13:00-14:50 | 4P060 |
Real-time observation of potential dependence of dissolution process of structural controlled Pt nanoparticle （Chiba Univ. Graduate School of Engineering）*Masayuki Kameyama，Yuta Yamada，Masashi Nakamura，Nagahiro Hoshi |
| 13:00-14:50 | 4P061 |
Characterization of alkatetrayne monolayers on graphite (0001) and the polymerization products （Fac. Engin., Tokyo Univ. Agric. & Technol.1，Fac. Sci., Kitasato Univ.2）*Kenta Kikuchi1，Shunya Yamazaki1，Matora Nakamoto1，Shohei Okuda1，Shoko Ikeda1，Junichiro Nakamura1，Hiroyuki Ozaki1，Osamu Endo1，Hideaki Oike1，Yasuhiro Mazaki2 |
| 13:00-14:50 | 4P062 |
Elucidation of charge-transfer-induced fluorescence blinking of perylenediimide dyes （Graduate School of Science, Shizuoka University）*Shun Azechi，Masaaki Mitsui |
| 13:00-14:50 | 4P063 |
Linear optical properties of polymer thin film / metal nanoparticle complex systems （Graduate School of engineering，Shizuoka Univ.）*takuma hirabayashi，atushi ono，yoshimasa kawada，atushi sugita |
| 13:00-14:50 | 4P064 |
Thin film photocells of double decker phthalocyanines （Graduate School of Science, Nagoya Univ.）*Masato Odaka |
| 13:00-14:50 | 4P065 |
Long-time relaxation process of the surface structure of dicationic ionic liquids ([C2MIm][TFSA]) （Nagoya Univ.1，Nagoya Univ.2，Chiba Univ.3，Sogang Univ.4，Tokyo Inst. Tech.5）*Yasunari Sakai1，Natsuko Tobita2，Toshihiko Mandai3，Keiko Nishikawa3，Doseok Kim4，Yukio Ouchi5 |
| 13:00-14:50 | 4P066 |
Gap-mode SERS observation of Pt-Ru electrocatalytic surface （Hokkaido Univ.1，JST-PRESTO2）*Aya Kimura1，Kei Murakoshi1，Katsuyoshi Ikeda1, 2 |
| 13:00-14:50 | 4P067 |
Study of the water bending mode at the air/water interface by heterodyne-detected vibrational sum frequency generation （RIKEN）*Achintya KUNDU，Satoshi NIHONYANAGI，Shoichi YAMAGUCHI，Tahei TAHARA |
[Liquid phase]
| 13:00-14:50 | 4P068 |
Vibrational Dynamics of Carbonyl Groups of the Excited State 4-Aminophthalimide: Effect of the Hydrogen Bonding Interaction （Kobe Univ. MolePhoto）*Minako Kondo，Kaoru Ohta，Keisuke Tominaga |
| 13:00-14:50 | 4P069 |
Multiphoton-gated photochromic reaction in diarylethene derivatives （Osaka Univ.1，JST-PRESTO2，NAIST3）*Soichiro Morikawa1，Tetsuro Katayama1, 2，Hiroshi Miyasaka1，Takuya Nakashima3，Tsuyoshi Kawai3 |
| 13:00-14:50 | 4P070 |
Kinetics and equilibrium of cis-trans isomers in ground state of 4-amino azobenzene （Mol. Photosci. Res., Kobe Univ.）*Neeraj Joshi，Akihide Wada |
| 13:00-14:50 | 4P071 |
Change of the intermolecular interactions and transformation of the macroscopic structures of oleate self-assemblies triggered by photoisomerization of azobenzene derivatives （Graduate School of Science and Engineering, Hokkaido Univ1，Graduate School of Science, Hokkaido Univ2）*Kurokome Yuta1，Ikegami Tomonori1，Kageyama Yoshiyuki2，Takeda Sadamu2 |
| 13:00-14:50 | 4P072 |
Relaxation dynamics of substituted nucleic-acid bases in the excited state （Aoyama Gakuin Univ.1，Sophia Univ.2）*Tadashi Suzuki1，Tasuku Isozaki1，Midori Ohsuga1，Shinkoh Nanbu2 |
| 13:00-14:50 | 4P073 |
Component analysis of the spectrum for balanced mixture of Congo Red （Tokyo University of Science ,Pharmaceutical Department1，International University of Health and Welfare ,Pharmaceutical Department2）*Yuta Tanaka1，Tsubasa Iijima1，Yukiko Okayama2，Yohsuke Shimada1，Satoru Goto1, 2 |
| 13:00-14:50 | 4P074 |
Electric field effects on fluorescence of methylene linked electron donor and acceptor compounds in solution （Research Institute for Electronic Science, Hokkaido Univ.）*Hung-Chu Chiang，Nobuhiro Ohta |
| 13:00-14:50 | 4P075 |
Vibrational dynamics of 9-fluorenone and water-soluble fluorenone studied by visible-pump and IR-probe spectroscopy （Graduate School of Science, Kobe Univ.1，Molecular Photoscience Research Center, Kobe Univ.2）*Yuki Fukui1，Minako Kondo2，Kaoru Ohta2，Keisuke Tominaga1, 2 |
| 13:00-14:50 | 4P076 |
Experimental and theoretical circular dichroism study of proline and hydroxyproline solutions for conformer analysis （AIST1，Waseda Univ.2，Kobe Univ.3）*Masahito Tanaka1，Toru Asahi2，Kazumichi Nakagawa3 |
[Biomolecules]
| 13:00-14:50 | 4P077 |
Computational Analysis for Prion Formation （Chiba Institute of Technology）*Norifumi Yamamoto |
| 13:00-14:50 | 4P078 |
Analysis of the structural transition of the Chignolin molecule using 3D-RISM/MD hybrid simulation method （Kanazawa University graduate school natural science graduate course）*Shinnosuke Gyobu，Shinichi Miura |
| 13:00-14:50 | 4P079 |
Structure and stability of the binding of HNP-1 with DPPC lipid bilayer: a molecular dynamics study （Institute of Science and Engineering, Kanazawa University1，Faculty of Mathematics and Natural Science, Bandung Institute of Technology2）*Nandia Primasari1, 2，Hiroaki Saito1，Santi Nurbaiti2，Kazutomo Kawaguchi1，Hidemi Nagao1 |
| 13:00-14:50 | 4P080 |
Structural Analysis of Catalytic Active Site in Ferredoxin-NADP+-Reductase by Molecular Dynamics Simulation （Graduate School of Natural Science and Technology, Kanazawa University）*Ryoma Kanno，Tomonori Ida，Daisuke Seo，Motohiro Mizuno |
| 13:00-14:50 | 4P081 |
Specific interactions between acetylcholineesterase and its potent inhibitors: ab initio fragment molecular orbital calculations and biochemical experiment （Toyohashi University of Technology1，University of Tromsø2）*Takeru Murakawa1，Tsubasa Okada1，Khan Mahmud2，Noriyuki Kurita1 |
| 13:00-14:50 | 4P082 |
A proposal of new peptide inhibitor binding to the cancer cell receptor and the analysis of its binding properties to the receptor by ligand-docking and fragment molecular orbital calculations. （Toyohashi University of Technology1，Nara Medical University2）*Tatsuro Mizushima1，Hiroaki Kawano1，Tomoyo Kasumi1，Hiroshi Kobayashi2，Noriyuki Kurita1 |
| 13:00-14:50 | 4P083 |
Specific interactions between the dimer of lactose repressor protein and DNA : molecular dynamics simulations and ab initio FMO calculations （Toyohashi University of Technology）*Yuki Matsushita，Masato Oishi，Tatsuya Ohyama，Noriyuki Kurita |
| 13:00-14:50 | 4P084 |
Theoretical study on hydrated DNA systems with unnatural base pair by linear-scaling DFT calculaions （RIKEN QBiC1，NIMS2，Univ. of College London3）*Takao Otsuka1，Michiaki Arita2，David Bowler3，Tsuyoshi Miyazaki2 |
| 13:00-14:50 | 4P085 |
DFT study on the reaction mechanism between DNA base-pairs and radicals produced by radiation. （Toyohashi University of Technology）*Eisuke Shimizu，Naoko Okutsu，Yuki Tokuyama，Noriyuki Kurita |
| 13:00-14:50 | 4P086 |
Highly efficient O(N) calculations of natural and artificial DNAs by elongation method （Department of Material Sciences, Faculty of Engineering Sciences, Kyushu Univ.1，JST-CREST2）*Yuuichi Orimoto1，Kai Liu1，Yuriko Aoki1, 2 |
[Theory/Calculation]
| 13:00-14:50 | 4P087 |
Solving the Schrödinger equation with the FATM-iExg method: Application to nitrogen-containing organic compounds （QCRI）*Yusaku Kurokawa，Hiroyuki Nakashima，Hiroshi Nakatsuji |
| 13:00-14:50 | 4P088 |
Theoretical chiral molecular technology, ChiraSac applied to biological molecules （Quantum Chemistry Research Institute）*Tomoo Miyahara，Hiroshi Nakatsuji |
| 13:00-14:50 | 4P089 |
Highly scalable multireference configuration interaction theory with internal contraction of density matrix renormalization group wave function （The Graduate Univ. for Advanced Studies1，Institute for Molecular Science2）*Masaaki Saitow1, 2，Yuki Kurashige2，Takeshi Yanai2 |
| 13:00-14:50 | 4P090 |
Density matrix renormalization group method for prediction of hyperfine structure （The Graduate University for Advanced Studies1，Insitute for Molecular Science2）*Lan Tran1，Yuki Kurashige2, 1，Takeshi Yanai2, 1 |
| 13:00-14:50 | 4P091 |
Large-scale computational method with simultaneous inclusion of relativistic and electron correlation effects （School of Advanced Science and Engineering, Waseda University1，Research Institute for Science and Engineering, Waseda University2，CREST, Japan Science and Technology Agency3，Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University4）*Masahiko Nakano1，Junji Seino1，Hiromi Nakai1, 2, 3, 4 |
| 13:00-14:50 | 4P092 |
Relativistic geoemtry optimization for heavy-element compounds （Graduate School of Advanced Science & Engineering, Waseda University1，Research Institute for Science and Engineering2，JST-CREST3，Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University4）*Yuya Nakajima1，Junji Seino1，Hiromi Nakai1, 2, 3, 4 |
| 13:00-14:50 | 4P093 |
Refinement of local response dispersion method and its functional dependence （School of Advanced Science and Engineering, Waseda University1，Research Institute for Science and Engineering, Waseda University2，CREST, Japan Science and Technology Agency3，Elements Strategy Initiative for Catalysts and Batteries4）*Yasuhiro Ikabata1，Hiromi Nakai1, 2, 3, 4 |
| 13:00-14:50 | 4P094 |
Static electron correlation treated by mean-field electronic structure calculations with pairing matrix （WIAS, Waseda Univ.）*Masato Kobayashi |
| 13:00-14:50 | 4P095 |
The ground and excited states of DyF studied by DIRAC-KRCI （Int. School of Liberal Studies, Chukyo Univ.1，Nagoya City Univ.2）*Shigeyoshi Yamamoto1，Hiroshi Tatewaki2 |
| 13:00-14:50 | 4P096 |
Proposal of the spherical integration method toward the accuracy improvement of multi-center numerical integration （Institute of Industrial Science, the Univ of Tokyo）*Junichi Matsuda，Toshiyuki Hirano，Fumitoshi Sato |
| 13:00-14:50 | 4P097 |
[Canceled]
Excitation energies vs orbital energy gaps of large systems （Fuel Cell Nanomaterials Center, University of Yamanashi）*Arunabhiram Chutia，Takao Tsuneda |
| 13:00-14:50 | 4P098 |
Optimization of complex orbital exponents in the complex basis function method （Graduate School of Science and Technology, Keio Univ.）*Rei Matsuzaki，Satoshi Yabushita |
| 13:00-14:50 | 4P099 |
Quantum chemical study of nonradiative transition process of squaraine molecule （Faculty of science and technology, Keio Univ.）*Hitoshi Ozawa，Kazunori Yashiro，Takuma Yamamoto，Satoshi Yabushita |
| 13:00-14:50 | 4P100 |
Theoretical designing of alignment control laser field for non-polar linear molecules by local control theory （Graduate School of Science and Technology）*Michihiko Sugawara |
| 13:00-14:50 | 4P101 |
Theoretical evaluation of photostability for Sun Screen molecule in UV region （Graduate School of science and technology, Sophia University1，individual2）*Ryota Shimada1，Toshimasa Ishida2，Shinko Nanbu1 |
| 13:00-14:50 | 4P102 |
Theoritical study of photostability for guanine in UV （Graduate School of science and technology,Sophia Univ.1，individual2）*Ryoichi Ito1，Toshimasa Ishida2，Shinko Nanbu1 |
| 13:00-14:50 | 4P103 |
Real-time TDHF/TDDFT calculation with efficient time evolution （Faculty of Science and Technology, Sophia Univ.）*Tomoko Akama，Kiho Sato，Shinkoh Nanbu |
| 13:00-14:50 | 4P104 |
Application of periodic boundary condition for ONIOM method （The Faculty for Science and Technology, Sophia Univ.）*Osamu Kobayashi，Shinkoh Nanbu |
| 13:00-14:50 | 4P105 |
Photoionization dynamics of nucleobases studied by Stieltjes moment theory （Graduate School of Science, Kyoto Univ.1，Molecular Reaction Dynamics Research Team, RIKEN2）*Yoshi-Ichi Suzuki1, 2，Toshinori Suzuki1, 2 |
| 13:00-14:50 | 4P106 |
Time-dependent multiconfiguration theory for molecules including Bose particles （School of Science, The University of Tokyo）*Tsuyoshi Kato，Kaoru Yamanouchi |
| 13:00-14:50 | 4P107 |
Quantum dynamics of H2 molecule by electron-nuclear wave function using Gaussian basis （School of Science, the University of Tokyo）*Yuichi Ichikawa，Tsuyoshi Kato，Kaoru Yamanouchi |
| 13:00-14:50 | 4P108 |
Nonlinear dynamics of photoemission from the non-adiabatic process induced by external field （Graduate School of Arts and Sciences,Tokyo Univ.）*Yuta Mizuno，Yasuki Arasaki，Kazuo Takatsuka |
| 13:00-14:50 | 4P109 |
Straight-chain decomposition of model Hamiltonian for light-harvesting dendrimers （Graduate School of Arts and Sciences, The University of Tokyo）*Shin-ichi Koda，Kazuo Takatsuka |
| 13:00-14:50 | 4P110 |
Theoretical study on the vibrational excitation and reaction processes of polyhydroxy fullerenes induced by near-infrared lasers （Graduate School of Science, Tohoku Univ.1，Faculty of Science, Tohoku Univ.2，Graduate School of Systems Engineering, Wakayama Univ.3，Faculty of Systems Engineering, Wakayama Univ.4，Institute for Quantum Chemical Exploration5）*Akinobu Ikeda1，Kazusa Hojo2，Manabu Kanno1，Hiroaki Tokoyama3，Hideo Yamakado4，Koichi Ohno1, 5，Hirohiko Kono1 |
| 13:00-14:50 | 4P111 |
Application of the Gaussian-based multiconfiguration wavepacket method to proton tunneling （Graduate School of Science, Tohoku Univ.）*Yuta Arai，Tatsuto Yamazaki，Manabu Kanno，Hirohiko Kono |
| 13:00-14:50 | 4P112 |
Multielectron dynamics induced by intense laser fields: Energy analysis of activated molecular orbitals （Graduate School of Science, Tohoku Univ.1，Graduate School of Nanobioscience, Yokohama City Univ.2，Graduate School of Science, The Univ. of Tokyo3，Graduate School of Science, Osaka Prefecture Univ.4）*Shu Ohmura1，Takayuki Oyamada2，Tsuyoshi Kato3，Hirohiko Kono1，Shiro Koseki4 |
| 13:00-14:50 | 4P113 |
Numerical synthesis of microwave pulses for manipulating KCs molecular qubits trapped in an optical lattice （Graduate School of Science, Tohoku Univ.）*Kenta Arai，Yukiyoshi Ohtsuki，Hirohiko Kono |
| 13:00-14:50 | 4P114 |
Energy analysis of electron configurations in nonadiabatic dynamics （Graduate School of Science, Tohoku Univ.）*Yusuke Sato，Shu Ohmura，Manabu Kanno，Hirohiko Kono |
| 13:00-14:50 | 4P115 |
Dependency of the water redox potential on the dielectric constant （Graduate School of Science, Kanazawa Univ.1，Research Center for Higher Education,Kanazawa Univ.2）*Tetsuya Sugimori1，Kimikazu Sugimori2，Hiroaki Saito1，Kazutomo Kawaguchi1，Hidemi Nagao1 |
| 13:00-14:50 | 4P116 |
Theoretical study on the structural stability of the lipid bilayer membrane by a coarse-grained simulation （Graduate School of Natural Science, Kanazawa Univ.1，School of Life Sciences, Tokyo University of Pharmacy and Life Science2）*Kazuma Tamura1，Tsuhito Yoshida1，Masako Takasu2，Hiroaki Saito1，Kazutomo Kawaguchi1，Hidemi Nagao1 |
| 13:00-14:50 | 4P117 |
Theoretical study on dynamics and local hydration structure of OH- in electrolyte （IFRC, Kyushu Univ.1，I2CNER, Kyushu Univ.2）*Takayoshi Ishimoto1，Michihisa Koyama1, 2 |
| 13:00-14:50 | 4P118 |
Molecular dynamical study of diffusion behavior of p-toluenesulfonic acid in polyhydroxystyrene （Graduate School of Information Science, Nagoya Univ.1，Venture Business Laboratory, Nagoya Univ.2，ESICB, Kyoto Univ.3，ATC, Fujifilm Corp.4）*Takafumi Noguchi1, 4，Masayoshi Takayanagi1, 2，Masataka Nagaoka1, 3 |
| 13:00-14:50 | 4P119 |
Development of model electronic Hamiltonian for dynamics studies of iron(II) complexes （Graduate School of Information Science, Nagoya Univ.）*Satoru Iuchi，Nobuaki Koga |
| 13:00-14:50 | 4P120 |
AIMD simulation of infrared spectra of fluorinated alkyl sulfonic acid dimers （FC-Cubic1，AIST2）*Makoto Yamaguchi1，Akihiro Ohira1, 2 |
| 13:00-14:50 | 4P121 |
Development of a polarizable water model for low-frecquency vibrational spectroscopies （Graduate School of Science, Kyoto Univ.）*Hironobu Ito，Yoshitaka Tanimura |
| 13:00-14:50 | 4P122 |
Analysis on vibrational-state of polyatomic molecules with Reptation Monte Carlo method （Graduate School of bio nano, Yokohama City University）*Osamu Fujioka，Yukiumi Kita，Masanori Tachikawa |
| 13:00-14:50 | 4P123 |
ab initio path integral molecular dynamics study on the intramolecular hydrogen bond of hydrogen maleate （Graduate School of Nanobioscience, Yokohama City University1，RIKEN AICS2）*Yukio Kawashima1, 2，Masanori Tachikawa1 |
| 13:00-14:50 | 4P124 |
Nuclear quantum effect on OH⁻(H₂O)₂ with ab initio path integral molecular dynamics （Yokohama City Univ.1，RIKEN AICS2，Academia Sinica3）*Yudai Ogata1，Yukio Kawashima2，Kaito Takahashi3，Masanori Tachikawa1 |
| 13:00-14:50 | 4P125 |
Accuracy check and analysis on chemical shifts and isotope shifts calculated by multi-component density functional theory with taking into account of solvent effect （Graduate School of Nanobioscience）*Yusuke Kanematsu，Masanori Tachikawa |
| 13:00-14:50 | 4P126 |
Theoretical analysis of dynamic feature for self-assembled nanocube in aqueous solution （Yokohama City Univ.1，The Univ. of Tokyo2，AIST3）*Takako Mashiko1，Shuichi Hiraoka2，Umpei Nagashima3，Masanori Tachikawa1 |
| 13:00-14:50 | 4P127 |
A Wave Function Analysis Based on Biorthogonal Second Quantumizaion （Kyoto University1，ESICB, Kyoto University2）*Motonori Masui1，Hirofumi Sato1, 2 |
| 13:00-14:50 | 4P128 |
Theoretical study on the structure of ferrocenium-based ionic liquids （Dept. Molecular Engineering, Graduate School of Engineering, Kyoto University1，ESICB, Kyoto University2）*Junki Noguchi1，Hirofumi Sato1, 2 |
| 13:00-14:50 | 4P129 |
Development of three dimensional SSSV equation （Dept. Molecular Engineering, Graduate School of Engineering, Kyoto University1，ESICB, Kyoto University2）*Kento Kasahara1，Hirofumi Sato1, 2 |
| 13:00-14:50 | 4P130 |
An integral equation theory for the structural fluctuation of chain molecules in the solution phase （Dept. Molecular Engineering, Graduate School of Engineering, Kyoto University1，ESICB, Kyoto University2）*Yoshihiro Matsumura1，Hirofumi Sato1, 2 |
| 13:00-14:50 | 4P131 |
Theoretical study on ultrafast decay processes of pyridine in solution （Graduate School of Science, Kyoto Univ.1，University of Wisconsin, Madison2）*Katsuhiro Nakano1，Toshifumi Mori2，Shigehiko Hayashi1，Shigeki Kato1 |
| 13:00-14:50 | 4P132 |
Development of multipole electrostatic potential operator for QM/MM method （Graduate School of Science, Kyoto Univ.1，Univ. of Washington2，Graduate School of Engineering, Kyoto Univ.3）*Yusuke Inoue1，Takahiro Kosugi2，Hiroshi Nakano3，Takeshi Yamamoto1，Shigehiko Hayashi1 |