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Tuesday, September 17 (Starting at 9:08)
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 venue.
Venue A Morning
Venue B Morning
Venue C Morning
Venue D Morning
Venue E Morning
Venue A Afternoon Venue B Afternoon Venue C Afternoon Venue D Afternoon Venue E Afternoon
Venue A Afternoon Venue B Afternoon Venue C Afternoon Venue D Afternoon Venue E Afternoon
Tuesday Morning Sessions(September 17, starting at 9:08)
| 9:08-9:26 | 1A01 | Identification of the Reaction Routes of the CH3 and HCO Product Pathways in the Ultraviolet Photodissociation of N,N-dimethylformamide (Graduate School of Science, Hiroshima University) Kosuke Inoue, Ryo Shonohara, Katsuyoshi Yamasaki, Yuuki Onitsuka, *Hiroshi Kohguchi |
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| 9:26-9:44 | 1A02 | Photoelimination of nitrosyl ligand from transition-metal complex via transiently bent coordination structure (Graduate School of Science, Hiroshima Univ.) *Hiroyuki Nakata, Keigo Nagamori, Misato Haze, Katsuyoshi Yamasaki, Hiroshi Kohguchi |
| 9:44-10:02 | 1A03 | Elucidation of trans → cis photoisomerization route of cinnamate by using supersonic jet/laser spectroscopies and an automated reaction route mapping method (Graduate School of Science, Hiroshima Univ.1,IMS2,SOKENDAI3,Institute for Materials Research, Tohoku Univ.4,Graduate School of Science, Hokkaido Univ.5,JST-PRESTO6,National Chiao Tung Univ.7) *Shin-nosuke Kinoshita1, Satoru Muramatsu1, Yoshiya Inokuchi1, Hiroshi Kohguchi1, Takafumi Shiraogawa2,3, Masahiro Ehara2,3, Kaoru Yamazaki4, Yu Harabuchi5,6, Satoshi Maeda5, Takayuki Ebata1,7 |
| 10:02-10:20 | 1A04 | Classical trajectory calculations for state-resolved Penning ionization reactions of polycyclic aromatic hydrocarbons in collision with He*(23S) (Graduate School of Engineering and Informatics, Univ. Electro-Communications1,Faculty of Engineering and Informatics, Univ. Electro-Communications2) *Yoshihiro Yamakita1, Naoki Kai2 |
| 10:30-10:48 | 1A05 | Development of FC high-resolution and high-sennsitivity resonannce Raman spectroscopy and its application to the NO3 radical (Graduate Univ. Advanced Studies1,N. Copernicus. Univ.2) *Eizi Hirota1, Akiko Nishiyama2 |
| 10:48-11:06 | 1A06 | High-resolution Fourier-transform spectroscopy with mid-infrared optical frequency comb (Nicolaus Copernicus University in Toruń) *Akiko Nishiyama, Kowzan Grzegorz, Charczun Dominik, Staniszewski Przemyslaw, Maslowski Piotr |
| 11:06-11:24 | 1A07 | High resolution near infrared spectroscopy of tritiated water (Graduate School of Science and Engineering, University of Toyama1,Hydrogen Research Center, University of Toyama2,Faculty of Science, Toho Univ.3) *Yuya Deguchi1, Kaori Kobayashi1, Masanori Hara2, Yuji Hatano2, Hiroyuki Ozeki3 |
| 11:24-11:42 | 1A08 | Are linear molecules bent ?! yes, it is observed so!! (Ochanomizu Univ.1,FORCUS2) *Tsuneo Hirano1, Umpei Nagashima2 |
| 11:42-12:00 | 1A09 | Almost the same C-H and C-D bond lengths are found for aromatics. Why? (Graduate School of Science, Kyoto University1,FOCUS2,Ochanomizu University3) *Masaaki Baba1, Umpei Nagashima2, Tsuneo Hirano3 |
Venue B [Clusters/particles/nanostructures]
| 9:08-9:26 | 1B01 | Theoretical analysis on the plasmon resonance of nanoparticles (CD-FMat, AIST) *Masafuyu Matsui, Hisao Nakamura |
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| 9:26-9:44 | 1B02 | Circular Dichroism Microscopy to Analyze Chirality of Individual Crystalline Particles (Inst. for Mol. Sci.1,Kyushu Univ.2) *Tetsuya Narushima1, Teppei Yamada2, Nobuo Kimizuka2, Hiromi Okamoto1 |
| 9:44-10:02 | 1B03 | Plasmonic photoluminescence of dispersive Cu nanoparticles: Significance in nanostructure and energy transfer system (Faculty of Sci. and Eng., Chuo Univ.1,Graduate school of Sci. and Eng., Chuo Univ.2) *Masaya Miyagawa1, Kengo Nishio2, Yoshiki Nishiyama2, Hideki Tanaka1 |
| 10:02-10:20 | 1B04 | Visualization of high-order plasmon modes excited on single gold mesoplates and application for nonlinear fluorescence spectroscopy (Graduate School of Advanced Science & Engineering, Waseda Univ.) *Seiju Hasegawa, Keisuke Imaeda, Kohei Imura |
| 10:30-10:48 | 1B05 | Effect of electrode thickness on lithium air battery using carbon nanotube electrode (Grad. Sch. of Sci. and Tech., Gunma Univ.) *Yoshikiyo Hatakeyama, Akifumi Suga, Soshi Shiraishi |
| 10:48-11:06 | 1B06 | Growth mechanism of (6,5) carbon nanotube: edge structures and regioselectivity (FIFC, Kyoto Univ.1,Graduate School of Engineering, Kyoto Univ.2,ESICB, Kyoto Univ.3,Graduate School of Science, Tokyo Metropolitan Univ.4) Tomohiro Nishikawa1,2, *Tohru Sato1,2,3, Naoki Haruta1,2, Takeshi Kodama4, Yohji Achiba4 |
| 11:06-11:24 | 1B07 | Optical properties of carbon dots fabricated by using space-selective chemical reactions (Waseda univ.) *Yoshio Kamura, Kohei Imura |
| 11:24-11:42 | 1B08 | Hot Electron Transfer Dynamics of CdSe/ZnS Quantum Dots-Methyl Viologen Systems (Graduate School of Science, Kwansei Gakuin Univ.) *Kosuke Tsuji, Syota Kori, Tetsuro Katayama, Daichi Eguchi, Naoto Tamai |
| 11:42-12:00 | 1B09 | Multiple exciton generation and electron-phonon coupling controlled by interior nano space in hyper-structured quantum dot superlattice (Department of Chemistry, Kyoto University) *Hyeon-deuk Kim |
| 9:08-9:26 | 1C01 | Precise determination of excitation energies in condensed-phase molecular systems based on exciton-polariton (Institute for Molecular Science) *Thanh phuc Nguyen, Akihito Ishizaki |
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| 9:26-9:44 | 1C02 | Dynamical interactions in the structural transition of a dipeptide molecule (Shizuoka Univ.) *Shinnosuke Kawai |
| 9:44-10:02 | 1C03 | How seaweeds release the excess energy from sunlight to surrounding sea water: A first-principles molecular dynamics study (RIKEN1,Sanyo-Onoda City University2,IPCMS3,Yamanashi University4) *Kenichi Koizumi1, Makoto Hatakeyama2, Mauro Boero3, Hirokazu Hori4, Taku Misonou4, Shinichiro Nakamura1 |
| 10:02-10:20 | 1C04 | How seaweeds release the excess energy from sunlight to surrounding sea water: A first-principles quantum chemical study (Sanyo-Onoda City University1,RIKEN2,IPCMS3,Yamanashi University4) *Makoto Hatakeyama1, Kenichi Koizumi2, Mauro Boero3, Hirokazu Hori4, Taku Misonou4, Shinichiro Nakamura2 |
| 10:30-10:48 | 1C05 | Theoretical analysis of the vibrational Stark effect of the OH stretching mode of hydrogen-bonded water based on a polarization model (Engineering, Shizuoka University) *Hironobu Ito, Hajime Torii |
| 10:48-11:06 | 1C06 | Initial process of photoionization in solution observed with femtosecond time-resolved near-IR spectroscopy (Faculty of Science, Gakushuin Univ.1,Faculty of Engineering, Toyama prefectural Univ.2) *Mizuho Kajita1, Tomohisa Takaya1,2, Koichi Iwata1 |
| 11:06-11:24 | 1C07 | Local viscosity for alcohol aqueous solutions probed by Brownian motion (College of Humanities and Sciences, Nihon Univ.1,National Institute of Technology, Ariake College2) *Satoshi Shibuta1, Kazuki Furukawa2, Ken Judai1 |
| 11:24-12:00 | 1C08 | [Invited Talk] Hydrogen bond dynamics in aqueous solutions (MPRC, Kobe Univ.) *Keisuke Tominaga |
| 10:30-10:48 | 1D05 | Development of highly sensitive time-resolved terahertz spectroscopy and application of measurement to charge carrier dynamics (Molecular Photoscience Research Center, Kobe Univ.1,Graduate School of Science, Kobe Univ.2) *Kaoru Ohta1,2, Keisuke Tominaga1,2 |
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| 10:48-11:06 | 1D06 | Excited-State Dynamics of Luminescent Radical and Radical Excimer (Graduate School of Science, Osaka City University1,Institute for Molecular Science2,Graduate School of Science, The University of Tokyo3) Ken Kato1, Shun Kimura3, Tetsuro Kusamoto2,3, Hiroshi Nishihara3, *Yoshio Teki1 |
| 11:06-11:24 | 1D07 | Polaron decoupling induced by polariton formation in an optical microcavity (Graduate School of Science, Kyoto Univ.1,Toyota Physical and Chemical Research Institute2) *Shota Takahashi1, Kazuya Watanabe1, Yoshiyasu Matsumoto2 |
| 11:24-11:42 | 1D08 | Ultrafast electron relaxation process after optical excitation of gold thin film at 400 nm by transient reflectometry (School of Science, The University of Tokyo) *Atsushi Iwasaki, Ryosuke Hayashi, Kaoru Yamanouchi |
| 11:42-12:00 | 1D09 | Structural changes and spin conversion processes in various thermally activated delayed fluorescence materials (Faculty of Science, Kyushu Univ.1,OPERA, Kyushu Univ.2,JST-ERATO3) Masaki Saigo1, Yuushi Shimoda1, Kiyoshi Miyata1, Hajime Nakanotani2,3, Youichi Tsuchiya2,3, Chihaya Adachi2,3, *Ken Onda1 |
| 9:44-10:02 | 1E03 | Theoretical study on interaction of trimethyglycine and monovalent ion in aqueous solution (Graduate School of Science, Hiroshima Univ.1,Center for Quantum Life Sciences, Hiroshima Univ.2) *Daiki Fukuhara1,2, Dai Akase1,2, Misako Aida1,2 |
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| 10:02-10:20 | 1E04 | Clustering Analysis for Molecular Capsules of V-shaped Polyaromatic Amphiphiles (Grad. Sch. Sci., Kyoto Univ.) *Masahiko Taguchi, Yuki Yamamoto, Daichi Tanaka, Shigehiko Hayashi |
| 10:30-10:48 | 1E05 | Theoretical study on structural prediction and solvent/guest effects on supramolecular systems (Graduate School of Science, Kyoto Univ) *Takeshi Yamamoto |
| 10:48-11:06 | 1E06 | New method to calculate position-dependent diffusion constant by imposing flat-bottom potential (Graduate School of Engineering, Nagoya Univ.) *Tetsuro Nagai, Shuhei Tsurumaki, Ryo Urano, Kazushi Fujimoto, Wataru Shinoda, Susumu Okazaki |
| 11:06-11:24 | 1E07 | Theoretical investigations for microscopic dynamical disorder in condensed phases: Hierarchy in transitions and fluctuations of protein conformations (IMS1,SOKENDAI2) *Yoshihiro Matsumura1, Shinji Saito1,2 |
| 11:24-11:42 | 1E08 | MD simulations and theoretical analysis of liquid pyrenes (Graduate School of Science, Kyoto Univ1,MANA- NIMS2) *Yuki Yamamoto1, Fengniu Lu2, Takashi Nakanishi2, Shigehiko Hayashi1 |
| 11:42-12:00 | 1E09 | Red Moon methodology-based computational chemistry for complex reaction systems in molecular condensed state (Graduate School of Informatics, Nagoya Univ.1,JST-CREST2,ESICB, Kyoto Univ.3,Graduate School of Engineering, Univ. of Tokyo4,Center for DS Education and Research, Shiga Univ.5) *Masataka Nagaoka1,2,3, Yuichi Suzuki1, Norio Takenaka4, Masayoshi Takayanagi5 |
Tuesday Afternoon Sessions(September 17, starting at 14:40)
| 14:58-15:16 | 1A11 | Study on chiral selectivity of pyrrole-propylene oxide clusters by IR spectroscopy. (Graduate School of integrated science and technology, Shizuoka Univ.1,Faculty of Science, Shizuoka Univ.2) *Kento Sakurai1, Yoshiteru Matsumoto2 |
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| 15:16-15:34 | 1A12 | Infrared photodissociation spectroscopy of hydrated sulfur dioxide cluster cations (Dalian Institute of Chemical Physics, Chinese Academy of Sciences) *Tsugunosuke Masubuchi, Ling Jiang |
| 15:34-15:52 | 1A13 | Gas phase spectroscopy of protonated dopamine water cluster in cold ion trap -hydration effect on excited state relaxation- (Laboratory for Chemistry and Life Science, Tokyo Institute of Technology1,School of Life Science and Technology, Tokyo Institute of Technology2) *Ken-ichi Kasai1,2, Keisuke Hirata1,2, Shun-ichi Ishiuchi1,2, Masaaki Fujii1,2 |
| 15:52-16:10 | 1A14 | Infrared spectroscopy of hydrated clusters of Valinomycin-alkali metal ion complexes by using cryogenic ion trap technique (Laboratory for Chemistry and Life Science, Tokyo Institute of Technology1,School of Life Science and Technology2) *Eiko Sato1,2, Keisuke Hirata1,2, Shun-ichi Ishiuchi1,2, Masaaki Fujii1,2 |
| 16:20-16:38 | 1A15 | Mass-analyzed threshold ionization spectroscopy of (η6-mesitylene)(η6-toluene)chromium and bis(η6-mesitylene)2chromium sandwich complexes (Institute of Atomic and Molecular Sciences, Academia Sinica1,G.A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences2) *Sheng-yuan Tzeng1, Sergey yulievich Ketkov2, Wen-bih Tzeng1 |
| 16:38-16:56 | 1A16 | Molecular-frame momentum imaging of tunneling electrons from molecular deuterium in circularly polarized intense laser fields (Grad. Sch. Science, Nagoya U1,RCMS, Nagoya U2) *Hikaru Fujise1, Minami Takahashi1, Daimu Ikeya1, Takeru Nakamura1, Akitaka Matsuda1, Mizuho Fushitani1, Akiyoshi Hishikawa1,2 |
| 16:56-17:14 | 1A17 | Ultrafast wave packet dynamics of H2O+ (X2B1) revealed by strong-field Fourier transform vibrational spectroscopy (School of Science, The University of Tokyo1,Institute of Chemistry, Eötvös Loránd University2,MTA-ELTE Complex Chemical Systems Research Group3) *Hiroyuki Kageyama1, Tamás Szidarovszky2,3, Ando Toshiaki1, Atsushi Iwasaki1, Kaoru Yamanouchi1 |
| 17:14-17:32 | 1A18 | Dissociation and ionization dynamics of H2O in an ultrashort intense laser field by the time-dependent adiabatic-state method and the time-dependent configuration interaction method (School of Science, the University of Tokyo1,Institute for Materials Research, Tohoku University2,Graduate School of Science, Tohoku University3) *Sho Koh1, Kaoru Yamanouchi1, Kaoru Yamazaki2, Manabu Kanno3, Hirohiko Kono3 |
| 17:32-17:50 | 1A19 | Petahertz modulation in N2+ lasing at 391 nm: Evidence of coherent B2Σu+-X2Σg+-A2Πu coupling (School of Science, The Univ. of Tokyo1,College of Electronic Science and Engineering, Jilin Univ.2,State Key Laboratory of Precision Spectroscopy, East China Normal Univ.3) *Toshiaki Ando1, Erik Lötstedt1, Atsushi Iwasaki1, Helong Li2, Yao Fu2, Siqi Wang2, Huailiang Xu2,3, Kaoru Yamanouchi1 |
Venue B [Clusters/particles/nanostructures]
| 14:40-14:58 | 1B10 | Electronic structures of transition-metal-doped silver cluster cations and anions probed by chemical reaction: Effects of electron count and geometric structures on s–d hybridization (Department of chemistry, Kyushu Univ.) *Kento Minamikawa, Naho Hayashi, Masashi Arakawa, Akira Terasaki |
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| 14:58-15:16 | 1B11 | Reaction of 3d-transition-metal-doped silver cluster cations with NO molecules: Size- and dopant-dependent reaction pathways (Department of Chemistry, Kyushu University) *Masashi Arakawa, Masataka Horioka, Kyosuke Nishikawa, Kento Minamikawa, Tomoki Kawano, Akira Terasaki |
| 15:16-15:34 | 1B12 | Photoelectron spectroscopy of thiolate protected silver cluster [Ag29(1,3-benzenedithiol)12]3– in the gas phase (Grad. Sch. Sci., The Univ. of Tokyo1,ESICB, Kyoto Univ.2) *Katsunosuke Nakamura1, Keisuke Hirata1, Kuenhee Kim1, Kiichirou Koyasu1,2, Tatsuya Tsukuda1,2 |
| 15:34-16:10 | 1B13 | [Young Scientist Award Talk] Study on Electron Dynamics at Nanoscale functional films (Philipps-Universität Marburg1,Keio University2) *Masahiro Shibuta1,2 |
| 16:20-16:38 | 1B15 | Proton Conduction in Crystalline Composite Based on Dawson-Type Polyoxometalate and Polyethylene Glycol (School of Arts and Sciences, The Univ. of Tokyo) *Masahiro Tomoda, Sayaka Uchida |
| 16:38-16:56 | 1B16 | Collisional reactions of bimolecular Ions (Graduate School of Nanobioscience, Yokohama City Univ.) *Shinji Nonose, Satoko Kanamori, Saki Kitamura, Takaaki Iyama, Wataru Kadota, Yuto Yonebayashi, Yu Usui, Hoshiyuri Oji |
| 16:56-17:14 | 1B17 | Electron highways Into nanochannels of covalent organic frameworks (Graduate School of Science, Nagaoya Univ.) *Yang Wu, Kunio Awaga |
| 17:14-17:32 | 1B18 | Molecular Dynamics and DFT Simulation Study of the Properties of a Cyclic Oligomer of o-PEEK (National Institute of Advanced Industrial Science and Technology (AIST)1,Mitsubishi Heavy Industries, Ltd.,2) *Pradeep Varadwaj1, Paul Fons1, Kiyoka Takagi2 |
| 17:32-17:50 | 1B19 | Oxidation states of CaMnn-1Ok+ and MnnOk+ clusters and their reactions with water investigated by TDS (Graduate School of Arts and Sciences, The Univ of Tokyo) *Yufei Zhang, Daigo Masuzaki, Ken Miyajima, Satoshi Kudoh, Fumitaka Mafune |
| 14:40-14:58 | 1C10 | Heliorhodopsin and schizorhodopsin: the photo-reaction dynamics of two novel families of photo-receptive membrane proteins (ISSP, Tokyo Univ.1,Technion2,Graduate School of Science, Nagoya Inst. Tech.3,OBTRC, Nagoya Inst. Tech.4) *Keiichi Inoue1, Oded Beja2, Hideki Kandori3,4 |
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| 14:58-15:16 | 1C11 | Origin of the reactive and nonreactive S1 states in the primary event of microbial rhodopsin (Molecular Spectroscopy Lab., RIKEN1,The Univ. of Tokyo2,RAP, RIKEN3,PRESTO, JST4,Nagoya Inst. Tech.5) *Chun-fu Chang1,2, Hikaru Kuramochi1,3,4, Manish Singh5, Rei Abe-yoshizumi5, Tatsuya Tsukuda2, Hideki Kandori5, Tahei Tahara1,3 |
| 15:16-15:34 | 1C12 | Time-resolved UV resonance Raman observation of protein dynamics of KR2 (Grad. Sch. of Sic., Osaka Univ.1,Inst. Solid State Phys., The Univ. of Tokyo2,Grad. Sch. of Eng., Nagoya Inst. Tech.3) *Akihiro Otomo1, Misao Mizuno1, Keiichi Inoue2, Hideki Kandori3, Yasuhisa Mizutani1 |
| 15:34-15:52 | 1C13 | Observation of changes in intracellular temperature with introduction of chemical substances using O-H stretching Raman band of water inside a cell (Graduate School of Pharmaceutical Sciences, Tohoku Univ.) *Toshiki Sugimura, Shinji Kajimoto, Takakazu Nakabayashi |
| 15:52-16:10 | 1C14 | Chirality imaging of keratin proteins in biological samples by a VSFG-detected IR super-resolution micro-spectroscopy (Faculty of Science, Okayama Univ. of Science1,Budapest Univ. of Technology and Economics2) *Hirona Takahashi1, Nandor Bokor2, Makoto Sakai1 |
| 16:20-16:38 | 1C15 | Raman imaging analysis of volume change of a cell with application of nanosecond pulsed electric fields (Graduate School of Pharmaceutical Sciences, Tohoku Univ.) *Takakazu Nakabayashi, Qi Yang, Yuki Kobayashi |
| 16:38-16:56 | 1C16 | Observation of biological sample using three-dimensional super resolution microscopy (Olympus1,Allied Health Sciences Physics, Kitasato University2,School of Medicine Sciences Physics, Kitasato University3,Tokyo Medical and Dental University Graduate School of Medical and Dental Sciences4) *Yoshinori Iketaki1, Hiroshi Kumagai2, Daisuke Okada3, Ayana Sugizaki4, Keisuke Sato4, Sumio Terada4 |
| 16:56-17:14 | 1C17 | Autofluorescence lifetime microscopy and nanosecond pulsed electric field effects: differentiation between normal and cancer cells (Department of Applied Chemistry and Institute of Molecular Science, National Chiao Tung University1,Center for Emergent Functional Matter Science, National Chiao Tung University2) *Nobuhiro Ohta1,2, Kamlesh Awasthi1, Feng-lin Change1, Hsin-yun Hsu1,2, Pei-ying Hsieh2 |
| 17:14-17:32 | 1C18 | Cryogenic fluorescence localization microscopy of individual molecules with molecular accuracy (Dept. of Phys., Tokyo Tech.1,IAE, Kyoto Univ.2) *Taku Furubayashi1, Eiji Nakata2, Takashi Morii2, Satoru Fujiyoshi1, Michio Matsushita1 |
| 17:32-17:50 | 1C19 | 3D-Camera confocal microscopy of single molecule under cryogenic conditions (Department of Physics) Tsuyoshi Matsuda, Taku Furubayashi, Michio Matsushita, *Satoru Fujiyoshi |
| 14:40-14:58 | 1D10 | Demonstration of strong magneto-chiral dichroism for visible light emission in chiral lanthanide complexes (IMR, Tohoku Univ.1,Department of Chemistry, Tohoku Univ.2) *Kouji Taniguchi1,2, Masaki Nishio1, Shuhei Kishiue2, Po-jung Huang2, Shojiro Kimura1, Hitoshi Miyasaka1,2 |
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| 14:58-15:16 | 1D11 | Development of circulary polarized organic light emitting diode using aggregation-induced enhanced CPL(AIEnh-CPL) materials (Graduate School of Science and Engineering, Ibaraki University1,AIST2,Graduate School of Science and Engineering, Kindai University,3) *Aoba Kanesaka1, Tomomasa Hosoya1, Toshiko Mizokuro2, Reiko Asumi2, Yoshitane Imai3, Akira Yamaguchi1, Hiroyuki Nishikawa1 |
| 15:16-15:34 | 1D12 | Spectroscopy signal analysis of pump-probe measurement of coherent phonon directly reproduced by multiscale simulation (Tsukuba Univ.) *Atsushi Yamada, Kazuhiro Yabana |
| 15:34-15:52 | 1D13 | Quantum mechanical molecular dynamics simulations of polaron formation process in a lead halide perovskite material (School of Advanced Science and Engineering, Waseda Univ.1,Waseda Research Institute for Science and Engineering, Waseda Univ.2,ESICB, Kyoto Univ.3) *Hiroki Uratani1, Chien-pin Chou2, Hiromi Nakai1,2,3 |
| 15:52-16:10 | 1D14 | Application of iridium complex to heterogeneous catalyst: A theoretical study (IMCE, Kyushu Univ.) *Kei Ikeda, Yoshihito Shiota, Kazunari Yoshizawa |
| 16:20-16:38 | 1D15 | Theoretical analysis of hydrogen bond structure and molecular motion and the discussion of the proton conduction in acid and imidazole composite materials (CCS, Univ. Tsukuba1,Graduate School of Natural Science and Technology, Kanazawa Univ.2,NanoMaRi, Kanazawa Univ.3) *Yuta Hori1, Toshiya Suetake2, Tomonori Ida2, Motohiro Mizuno3, Yasuteru Shigeta1 |
| 16:38-16:56 | 1D16 | Hydrogen-Bond Manners, Molecular Dynamics, and Anhydrous Proton Conductivity in Organic Acid–Base Type Crystals Consisting of Dicarboxylic Acid and Imidazole (ISSP, The Univ. of Tokyo1,Faculty of Advanced Science and Technology, Kumamoto University2) *Yoshiya Sunairi1, Shun Dekura1, Akira Ueda1,2, Hatsumi Mori1 |
| 16:56-17:14 | 1D17 | Proton Conductivity and Hydrogen-Bonding Network in Molecular Crystals of Diamino bithiazole and Phosphoric Acid (Graduate School of Engineering, Tohoku Univ.1,IMRAM, Tohoku Univ.2) *Guohao Yuan1, Takashi Takeda1,2, Norihisa Hoshino1,2, Tomoyuki Akutagawa1,2 |
| 17:14-17:50 | 1D18 | [Young Scientist Award Talk] Functional materials based on molecular motion of organic molecules (IMRAM, Tohoku Univ.) *Takashi Takeda |
| 14:40-14:58 | 1E10 | Acceleration of pressure tensor calculation in fast multipole method (Nagoya Univ.1,Nagoya Univ.2,Tamagawa Univ.3) *Noriyuki Yoshii1,2, Yoshimichi Andoh1, Tatsuya Sakashita3, Susumu Okazaki2,1 |
|---|---|---|
| 14:58-15:16 | 1E11 | Liquid-gas equilibrium densities of Lennard-Jones system by molecular dynamics simulation (Department of Chemical Science and Technology, Hosei Univ.) *Yosuke Kataoka |
| 15:16-15:34 | 1E12 | Analysis of free energy network of polypeptide in water by using free energy reaction root mapping method (Center for Computational Science, Univ. of Tsukuba) *Yuki Mitsuta, Yasuteru Shigeta |
| 15:34-15:52 | 1E13 | Predicitive model of glass transition temperatures of polymer based on 2D chemical structures (IMCE, Kyushu Univ.1,University of Strasbourg2) *Chisa Higuchi1,2, Dragos Horvath2, Gilles Marcou2, Kazunari Yoshizawa1, Alexandre Varnek2 |
| 15:52-16:10 | 1E14 | Systematic surface reaction path search and kinetic analysis: decomposition of methanol on Pt(111) surface (Hokkaido Univ.1,Hokkaido Univ.2,WPI-ICReDD3,NIMS4) *Kanami Sugiyama1, Kenichiro Saita2, Satoshi Maeda2,3,4 |
| 16:20-16:38 | 1E15 | Construction of surface model calculation database for predicting catalytic activity and its application to methane steam reforming catalyst (Faculty of Science, Hokkaido Univ.1,WPI-ICReDD, Hokkaido Univ.2,ESICB, Kyoto Univ.3,Graduate School of CSE, Hokkaido Univ.4) *Masato Kobayashi1,2,3, Haruka Onoda4, Tetsuya Taketsugu1,2,3,4 |
| 16:38-16:56 | 1E16 | Approach to prediction of activity of transition metal clusters for NO reduction (Faculty of Science, Hokkaido Univ.1,WPI-ICReDD2,NIMS3) *Tomoya Ichino1, Satoshi Maeda1,2,3 |
| 16:56-17:14 | 1E17 | Odd-even reactivity variation due to dynamical effects for the reaction of Cn- chain (n=2-8) with H2 (IAMS, Academia Sinica) *Daisuke Yoshida, Kaito Takahashi |