Monday, September 21 (Starting at 9:30)
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
Monday Morning Sessions(September 21, starting at 9:30)
| 9:30-9:48 | 3A01 | Quantum Yield of Near-Infrared Bioluminescence with Firefly Luciferin Analog: AkaLumine (Graduate School of Science and Technology, Gunma Univ.1,Institute for Solid State Physics, The Univ. of Tokyo2,Department of Applied Chemistry and Biochemical Engineering, Graduate School of Engineering, Shizuoka Univ.3,Department of Engineering Science, Graduate School of Informatics and Engineering, The Univ. of Electro-Communications4,Center for Neuroscience and Biomedical Engineering (CNBE), The Univ. of Electro-Communications5,Department of Chemical and Biological Science, Faculty of Sciences, Japan Woman's Univ.6,Gunma University Center for Food Science and Wellness7) *Ryohei Ono1,2, Keita Ohsawa1, Yutaka Takahashi1, Yoshifumi Noguchi3, Nobuo Kitada4,5, Ryohei Saito-moriya4,6, Takashi Hirano4, Shojiro A. Maki4,5, Keisei Shibata2, Hidefumi Akiyama2, Ken-ichiro Kanno1, Hideyuki Itabashi1,7, Miyabi Hiyama1,7 |
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| 9:48-10:06 | 3A02 | Photochemical reaction of ketoprofen in a human serum albumin (College of Science and Engineering, Aoyama Gakuin University1,Graduate School of Engineering, Yokohama National University2) *Wataru Kashiahra1, Kazuyoshi Ueda1,2, Tadashi Suzuki1 |
| 10:06-10:24 | 3A03 | Viscosity and structure of deep eutectic solvents with choline chloride - picosecond time-resolved fluorescence study (Faculty of Science, Gakushuin Univ.) *Naoki Sakurai, Koichi Iwata |
| 10:24-10:42 | 3A04 | Ultrafast excited-state dynamics and field-effect-transistor performance of remarkably photochemically stabilized pentacene derivatives with radical substituent (Graduate School of Science, Osaka City University1,Graduate School of Engineering, Osaka Metropolitan University2,School of Biological and Environmental Sciences, Kwansei Gakuin University3,Graduate School of Science, Nagoya University4) Nishiki Minami1, Kohei Yoshida1, Hina Kobayashi1, Masazumi Fujiwara1, Chiasa Uragami3, Hideki Hashimoto3, Michio Matsushita4, *Yoshio Teki1,2 |
| 11:00-11:18 | 3A05 | Observation of excited-state dynamics in multivalent Ru(III) complex by femtosecond time-resolved electrochemical spectroscopy (Molecular Spectroscopy Laboratory, RIKEN1,Ultrafast Spectroscopy Research Team, RIKEN Center for Advanced Photonics (RAP)2) *Tsukasa Takanashi1, Tahei Tahara1,2 |
| 11:18-11:36 | 3A06 | A novel method for addition reaction rate constants of benzyl radical utilizing pulsed-EPR measurement of electron spin polarization relaxation (Graduate School of Science, Kanagawa Univ.1,Okayama Univ. of Science2,Faculty of Science, Kanagawa Univ.3) *Hiroki Hirano1, Ai Nagata3, Hirona Takahashi2, Akio Kawai3 |
| 11:36-11:54 | 3A07 | Inhomogeneity of hydrated electrons observed by transient two-dimensional electronic spectroscopy using sub-10 femtosecond pulses (Mol. Spectrosc. Lab, RIKEN1,RAP, RIKEN2,Institute for Molecular Science3,The Graduate University for Advanced Studies4) *Korenobu Matsuzaki1,2, Hikaru Kuramochi3,4, Tahei Tahara1,2 |
| 11:54-12:12 | 3A08 | Vibronic coherence on artificial fluorescent protein studied by sub-10 fs 2D-electronic spectroscopy (QST KPSI1,QST iQLS2) *Masaaki Tsubouchi1, Nobuhisa Ishii1, Ryuji Itakura1, Yuji Kagotani2, Rumi Shimizu2, Takatoshi Fujita2, Yoshiteru Yonetani2,1, Motoyasu Adachi2 |
| 9:30-9:48 | 3B01 | Free energy evaluation for adsorption of aromatic molecules at Pt(111)/water interface by 3D-RISM theory (Graduate School of Engineering, Kyoto Univ.1,Fukui Institute for Fundamental Chemistry, Kyoto University2) *Akihiko Takamatsu1, Masahiro Higashi1, Hirofumi Sato1,2 |
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| 9:48-10:06 | 3B02 | Gas permeation in polymer electrolyte membranes studied by large-scale molecular dynamics simulations and dynamic Monte Carlo method (Dept. of Chem., Fukuoka Univ.1,Grad. Sch. of Frontier sciences, The Univ. of Tokyo2) *Tetsuro Nagai1, Susumu Okazaki2 |
| 10:06-10:24 | 3B03 | Autonomic Ordering of Hydrogen Molecules under a Non-Equilibrium Flow (Department of Chemistry, Kyoto University) *Hyeon-deuk Kim |
| 10:24-10:42 | 3B04 | Comprehensive analysis and characterization of tensile, shear, and peel adhesive force of epoxy resins based on density functional theory calculations (Institute for Materials Chemistry and Engineering, Kyushu Univ.1,Faculty of Engineering Sciences, Kyushu University2) *Yosuke Sumiya1, Yuta Tsuji2, Kazunari Yoshizawa1 |
| 11:00-11:36 | 3B05 | [Young Scientist Award Talk] Theoretical elucidation of structure and spectroscopy at organic molecular interfaces (Graduate School of Science, Tohoku University) *Lin Wang |
| 11:36-11:54 | 3B07 | On Water Chemistry of a Quasi-2D Crystalline Polymer Revealed by In Situ SFG Spectroscopy (Max-Planck Institue for Polymer Research1,TU Dresden2) *Takakazu Seki1, Xiaoqing Yu1, Peng Zhang2, Chun-chieh Yu1, Renhao Dong2, Yuki Nagata1, Xinliang Feng2, Mischa Bonn1 |
| 11:54-12:12 | 3B08 | Ortho-to-para nuclear spin conversion of H2 on interstellar grain surface (ILTS, Hokkaido Univ.) *Masashi Tsuge, Akira Kouchi, Naoki Watanabe |
| 9:30-9:48 | 3C01 | Quantification of liquid-liquid phase separation using Brillouin-Raman imaging (Graduate School of Pharmaceutical Sciences, Tohoku Univ.1,JST PRESTO2) *Daiki Shibata1, Shinji Kajimoto1,2, Takakazu Nakabayashi1 |
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| 9:48-10:06 | 3C02 | Photoinduced electron transfer reaction of a bridging molecule between flavin and tryptophan (Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,Chirality Research Center (CResCent), Hiroshima Univ.2) *Yoshimi Oka1,2, Katsuya Inoue1,2 |
| 10:06-10:24 | 3C03 | Light-induced dimerization mechanism and solution structure of blue light sensor protein eBLUF (Graduate School of Science, Kyoto Univ.1,Graduate School of Medical Life Science, Yokohama City Univ.2) *Yusuke Nakasone1, Kosei Shibata1, Ayako Furukawa2, Yoshifumi Nishimura2, Masahide Terazima1 |
| 10:24-10:42 | 3C04 | Conformational changes of the retinal chromophore of ChRmine, one of the light-gated cation channel rhodopsin (The Institute for Solid State Physics, The University of Tokyo1,Komaba Institute for Scinece, The University of Tokyo2,Graduate School of Science and Technology, Gunma University3) *Yuma Kawasaki1, Keisei Shibata1, Koichiro Kishi2, Shunki Takaramoto1, Ryohei Ono1,3, Masahiro Fukuda2, Hiromu Yawo1, Hideaki Kato2, Hidefumi Akiyama1, Keiichi Inoue1 |
| 11:00-11:18 | 3C05 | Identification of structural changes essential to inward proton transport common to schizorhodopsins (Graduate School of Science, Osaka Univ.1,The Institute for Solid State Physics, The University of Tokyo2,Graduate School of Engineering, Nagoya Institute of Technology3) *Taito Urui1, Kouhei Hayashi1, Misao Mizuno1, Keiichi Inoue2, Hideki Kandori3, Yasuhisa Mizutani1 |
| 11:18-11:36 | 3C06 | Time-resolved resonance Raman observation of the photoexcited retinal chromophore in halorhodopsin (Graduate School of Science, Osaka Univ.1,Graduate School of Engineering, Nagoya Institute of Technology2) *Zixuan Li1, Misao Mizuno1, Hideki Kandori2, Yasuhisa Mizutani1 |
| 11:36-11:54 | 3C07 | Photoreaction dynamics of novel microbial rhodopsin (bestrhodopsin) using time-resolved infrared spectroscopy (Nagoya Inst. Tech.1,Technion–Israel Inst. Tech.2,Weizmann Inst. Sci.3,Univ. Tokyo4) *Masahiro Sugiura1, Kota Katayama1, Mako Aoyama1, Andrey Rozenberg2, Igor Kaczmarczyk3, Donna Matzov3, Takashi Nagata4, Moran Shalev-benami3, Oded Beja2, Keiichi Inoue4, Hideki Kandori1, Yuji Furutani1 |
| 11:54-12:12 | 3C08 | FTIR study of photoreaction properties in a primate blue-sensitive pigment (Nagoya Institute of Technology1,Center for the Evolutionary Origins of Human Behavior, Kyoto University2) *Yosuke Mizuno1, Kota Katayama1, Hiroo Imai2, Hideki Kandori1 |
Venue D [Clusters/particles/nanostructures]
| 9:30-9:48 | 3D01 | Photoelectron imaging of silver and transition-metal-doped silver cluster anions: visualization and theoretical study of superatomic 2S orbital (Faculty of Science, Kyushu University) *Tasuku Nishizato, Kento Minamikawa, Haruki Hashimoto, Kazuaki Matsumoto, Masashi Arakawa, Takuya Horio, Akira Terasaki |
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| 9:48-10:06 | 3D02 | Composition dependence of the reactivity of rhodium-alloy oxynitride clusters toward CO investigated by thermal desorption Spectrometry (Graduate School of Arts and Sci., Univ. Tokyo) *Ken Miyajima, Yufei Zhang, Toshiaki Nagata, Satoshi Kudoh, Fumitaka Mafune |
| 10:06-10:24 | 3D03 | Generation of cavity enhanced fluorescence in colliding droplet of aqueous rhodamine 6G solution (Department of Chemistry, Gakushuin University) *Aya Kamoshita, Jun-ya Kohno |
| 10:24-10:42 | 3D04 | Anomaly Brownian motion in water-ethanol mixtures (CHS, Nihon Univ,1,Kagoshima Kosen2,Ariake Kosen3) *Ken Judai1, Satoshi Shibuta2, Kazuki Furukawa3 |
| 11:00-11:18 | 3D05 | Observation of heterometallic clusters by visualization of atom dynamics (Laboratory for Chemistry and Life Science, Tokyo Tech.) *Takane Imaoka, Minori Inazu, Yuji Akada, Ryo Oguro, Kimihisa Yamamoto |
| 11:18-11:36 | 3D06 | Synthesis and surface-sensitive optical properties of CdS magic-sized clusters (Grad. Sch. of Sci., Kyoto Univ.1,Inst. for Chem. Res., Kyoto Univ.2) *Ryo Takahata1,2, Wataru Suzuki2, Masaki Saruyama2, Toshiharu Teranishi1,2 |
| 11:36-12:12 | 3D07 | [Invited Talk] Molecular Theories for Chemical Condensed Phase (Graduate School of Engineering, Kyoto Univ.1,FIFC, Kyoto Univ.2) *Hirofumi Sato1,2 |
| 9:30-9:48 | 3E01 | Quantum chemical exploration of molecular structures and reaction processes: C6H6 (Graduate School of Science, Tohoku Univerisity1,Institute for Quantum Chemical Exploration2,ROIS3,University of Zurich4) *Koichi Ohno1,2, Hiroko Satoh2,3,4, Takeaki Iwamoto1, Hiromasa Watanabe2 |
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| 9:48-10:06 | 3E02 | Quantum chemical calculations for alkali-metal complexes of biomolecules (Hosei University) *Hiroya Suno |
| 10:06-10:24 | 3E03 | Computational study to form humin based on reaction path analysis (Graduate School of chemical Science and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2,WPI-ICReDD, Hokkaido Univ.3,Institute for catalysis, Hokkaido Univ.4) *Keisuke Tashiro1, Masato Kobayashi2,3, Kiyotaka Nakajima4, Tetsuya Taketsugu2,3 |
| 10:24-10:42 | 3E04 | Analysis of Bond Strengths between Ion-Water and Water-Water in Hydrated Positive and Negative Ion Clusters (Chiba Institute of Technology1,no affiliation2) *Yasuhiro Sunaga1, Tatsuya Furukawa1, Chisa Furukawa1, Chiaki Ishibashi1, Suehiro Iwata2, Shoji Kudo1, Hidenori Matsuzawa1 |
| 11:00-11:18 | 3E05 | [Withdraw] |
| 11:18-11:36 | 3E06 | Improvements and large-scale applications of ABINIT-MP on A64FX supercomputers (Rikkyo Univ., Fac. Sci.1,Univ. Tokyo, IIS2,NIHS3,FOCUS4,HPC Systems, Inc.5,Keio Univ., Fac. Sci. Tech.6,Univ. Tokyo, Fac. Agric.7,Nagoya Univ., Inform. Tech. Cent.8) *Yuji Mochizuki1,2, Tatsuya Nakano3, Kota Sakakura4, Hiromasa Watanabe5, Kazuki Akisawa1, Shun Kitahara1, Koji Okuwaki1, Hideo Doi1, Eiji Yamamoto6, Yoshinori Hirano6, Kenji Yasuoka6, Yoshitaka Moriwaki7, Satoshi Ohshima8, Takahiro Katagiri8 |
| 11:36-12:12 | 3E07 | [Invited Talk] Molecular Theory of Adhesion based on First-Principles Calculations (Institute for Materials Chemistry, Kyushu Univ.) *Kazunari Yoshizawa |
Monday Afternoon Sessions(September 21, starting at 15:00)
Venue A [Gas phase | Liquid phase]
| 15:00-15:18 | 3A09 | Strong-field ultrahigh-resolution Fourier-transform spectroscopy of H2 (School of Science, The University of Tokyo) *Toshiaki Ando, Kana Yamada, Atsushi Iwasaki, Kaoru Yamanouchi |
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| 15:18-15:36 | 3A10 | High resolution laser spectroscopy of NO2 A-X transition 16200 cm-1 region (MPRC, Kobe Univ.1,Faculty of Science, Kobe Univ.2,Kyoto Univ.3) *Shunji Kasahara1, Kazuho Norii2, Honoka Minamide2, Kohei Tada3 |
| 15:36-15:54 | 3A11 | Relaxation process from the one-photon forbidden ‘gerade’ electronic state of isolated and jet-cooled tolane (Graduate School of College of Engineering, Nhon University1,College of Engineering, Nihon University2) Yuto Naganuma1, Kohei Chiba1, *Katsuhiko Okuyama2 |
| 15:54-16:12 | 3A12 | Laboratory Measurement of Millimeter-wave Transitions of 13CH2DOH for Astronomical Use (RIKEN1,Shibaura Institute of Technology2,The University of Electro-Communications3) *Oyama Takahiro1, Yuki Ohno1, Akemi Tamanai1, Shaoshan Zeng1, Yoshimasa Watanabe2, Riouhei Nakatani1, Takeshi Sakai3, Nami Sakai1 |
| 16:30-16:48 | 3A13 | How microheterogeneity influences liquid-phase reactions? (NIES) *Shinichi Enami |
| 16:48-17:06 | 3A14 | Phase separation behavior of PNIPAM aqueous solutions in millimeter- to micron-sized reverse micelles (Graduate School of Science, Osaka City Univ.1,Graduate School of Science, Osaka Metropolitan Univ.2) *Akitoshi Sumimoto1, Tomoyuki Yatsuhashi2, Kenji Sakota2 |
| 17:06-17:24 | 3A15 | Universal line for volume change upon hydrophobic hydration and exceptions found for halogenated benzenes (Department of Liberal Arts and Sciences, Kagoshima College1,Department of Frontier Biosciences, Nagahama Univ.2,Department of Mathematics, Tokai univ.3,College of Humanities and Sciences, Nihon Univ.4) *Satoshi Shibuta1, Hiroshi Imamura2, Kota Shibuta3, Ken Judai4 |
| 17:24-17:42 | 3A16 | Fluctuation and diffusion of the mixture of an ionic liquid and water near the critical temperature of the phase separation (Graduate School of Science and Engineering, Doshisha University1,Faculty of Science and Engineering, Doshisha University2) Kohei Shimada1, Mizuki Hirata2, Kaori Fujii2, Takatsugu Endo2, *Yoshifumi Kimura1,2 |
| 15:00-15:18 | 3B09 | Excess potential of anion adsorption/desorption at ionic liquid electrolyte/electrode interfaces (Department of Materials Science and Engineering, Tokyo Tech.1,Department of Chemistry, Shanghai Univ.2,Department of Physics, Sogang Univ.3) *Takashi Iwahashi1, Hibiki Kishida1, Chengzi Qi1, Wei Zhou2, Doseok Kim3, Yukio Ouchi1 |
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| 15:18-15:36 | 3B10 | Theoretical Study on Atomic-Scale Picture of Heterogeneous Solid-Liquid Electric Double Layer (Institute for Catalysis, Hokkaido Univ.1,Graduate School of Chemical Sciences and Engineering, Hokkaido University2) *Kenji Iida1, Hinoki Hirase2, Jun-ya Hasegawa1 |
| 15:36-16:12 | 3B11 | [Invited Talk] SERS Observation for Polaritonic Electrochemistry (Dep. Chem., Hokkaido Univ.) *Kei Murakoshi |
| 16:30-16:48 | 3B13 | The interfacial structure of aqueous electrolyte solutions studied by a newly developed grand canonical molecular dynamics method (Graduate School of Science, Tohoku Univ.) *Iori Imaizumi, Tomonori Hirano, Akihiro Morita |
| 16:48-17:06 | 3B14 | In situ electrospectroscopic study of aprotic organic electrolyte decomposition during the oxygen electrode reactions (Graduate School of Science, Tohoku University1,College of Material Science and Engineering, Nanjing University of Aeronautics and Astronautics2) *Ryuuta Nagai1, Chengyang Xu1,2, Aimin Ge1, Koki Kannari1, Ken-ichi Inoue1, Shen Ye1 |
| 17:06-17:24 | 3B15 | Active sites for water electrolysis reactions on Pt electrode (Graduate School of Engineering, Chiba Univ.1,JASRI/SPring-82) *Masashi Nakamura1, Kazuki Iizuka1, Kota Suzuki1, Hiroo Tajiri2, Osami Sakata2, Nagahiro Hoshi1 |
| 17:24-17:42 | 3B16 | Electronic potential of metal electrodes at electric double layers affected by cation-anion interactions in ionic liquids (Nagoya Univ.1,U. Tokyo2) *Chihiro Nanjo1, Daisuke Yokogawa2, Rie Suizu1, Michio M. matsushita1, Kunio Awaga1 |
| 15:00-15:18 | 3C09 | Selective IR imaging of secondary structures of keratin proteins in human nail by IR super-resolution microscopy based on non-linear optical process (Faculty of Science, Okayama Univ. of Science) *Hirona Takahashi, Kohei Katayama, Tetsuya Ida, Makoto Sakai |
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| 15:18-15:36 | 3C10 | Rapid low-frequency imaging with Raman microspectroscopy using a mechanical streak camera (College of Sci. and Eng., Aoyama Gakuin University) *Rintaro Shimada, Akira Sakamoto |
| 15:36-15:54 | 3C11 | Single protein vibrational spectroscopy by infrared near-field microscopy with high-harmonic demodulation (Institute for Molecular Science1,Graduate University for Advanced Studies, SOKENDAI2) *Jun Nishida1,2, Akihiro Otomo1,2, Ryota Iino1,2, Takashi Kumagai1,2 |
| 15:54-16:12 | 3C12 | Observation of interactions between membrane-binding peptides and supported lipid bilayers by total internal reflection Raman spectroscopy (Grad. Sch. Pure and Appl. Sci., Univ. of Tsukuba) *Masato Kondoh, Arisa Sano, Saya Suzuki, Taka-aki Ishibashi |
| 16:30-16:48 | 3C13 | Fluorescence resonance energy transfer mechanism of calcium ion sensor protein YC3.60 revealed by picosecond time-resolved fluorescence spectroscopy (Faculty of Science, Toho University) Hiroki Tsubota, *Haruko Hosoi |
| 16:48-17:06 | 3C14 | Investigation of microsecond dynamics of LSSmOrange protein using two-dimensional fluorescence lifetime correlation spectroscopy (Molecular Spectroscopy Laboratory, RIKEN, Japan1,Ultrafast Spectroscopy Research Team, RIKEN Center for Advanced Photonics, Japan2,Laboratory of Biomolecular Network Dynamics, Biochemistry, Molecular and Structural Biology Section, Department of Chemistry, KU Leuven, Heverlee, Belgium3) *Bidyut Sarkar1, Kunihiko Ishii1,2, Hideaki Mizuno3, Tahei Tahara1,2 |
| 17:06-17:24 | 3C15 | Investigation of sequence dependence on photo-damage of DNA using time-resolved and steady-state absorption measurements (Gakushuin Univ.) *Akira Takakado, Koichi Iwata |
| 17:24-17:42 | 3C16 | Studying Folding Kinetics of i-motif DNA with Microfluidic Mixing by Independent Fluorescence Component Analysis (Molecular Spectroscopy Laboratory, RIKEN1,Ultrafast Spectroscopy Research Team, RIKEN RAP2) *Wooseok Heo1, Kunihiko Ishii1,2, Tahei Tahara1,2 |
| 15:00-15:18 | 3D09 | Molecular Assembly Structure and Ferroelectricity of Triptycenetricarboxamide Derivative (Graduate School of Engineering, Tohoku University1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University2,Laboratory for Chemistry and Life Science, Tokyo Tech3,School of Materials and Chemical Technology, Tokyo Tech4,Graduate School of Science and Technology, Niigata University5) *Ryohei Mizoue1, Takashi Takeda1,2, Mikiya Kato3,4, Yoshiaki Shoji3,4, Takanori Fukushima3,4, Norihisa Hoshino5, Tomoyuki Akutagawa1,2 |
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| 15:18-15:36 | 3D10 | Electronic structure and molecular arrangement of molecule-based honeycomb lattice using triptycene derivative Trip-Phz and fullerene C60 (Nagoya Univ.1,NIMS2,JST PRESTO3) *Ryota Sema1, Ryohei Nemoto2, Ryo Ushiroguchi1, Takashi Uchihashi2, Rie Suizu1,3, Kunio Awaga1 |
| 15:36-15:54 | 3D11 | Liquid crystalline 2D borophene oxide synthesized in solution phase (KISTEC1,Tokyo Tech2) *Dongwan Yan1,2, Tetsuya Kambe2, Kimihisa Yamamoto2 |
| 15:54-16:12 | 3D12 | Ionization energy of pentacene thin films on SiO2 surfaces (School of Materials Science, JAIST) *Keitaro Eguchi, Hideyuki Murata |
| 16:30-16:48 | 3D13 | Origin of stereoselectivity in a mechanochemical reaction of diphenylfulvene and maleimide (FIFC, Kyoto Univ.1,Grad. Sch. Eng., Kyoto Univ.2,ESICB, Kyoto Univ.3,IMT Mines Albi4) *Naoki Haruta1,2,3, Wakana Sakai1,2, Lori Gonnet4, Tohru Sato1,2,3, Michel Baron4 |
| 16:48-17:06 | 3D14 | [Withdraw] |
| 17:06-17:24 | 3D15 | Development and Structural Analysis of Neutral Proton Transfer Coupled Spin Transition Complex (IMCE, Kyushu Univ.1,CCS, University of Tsukuba2,J-PARC JAEA3) *Takumi Nakanishi1, Yuta Hori2, Yasuteru Shigeta2, Takashi Ohhara3, Osamu Sato1 |
| 17:24-17:42 | 3D16 | Pioneering π-conjugated radical molecules toward molecular qubits (Graduate School of Science, Tohoku univ.1,Graduate School of Engineering, Nagoya Univ.2,Nankai univ.3) *Shohei Koyama1, Hiroaki Iguchi2, Masahiro Yamashita1,3 |
| 15:00-15:18 | 3E09 | Development of curvature weighted nudged elastic band method (Graduate School of Science, Osaka Metropolitan Univ.1,RIMED, Osaka Pref. Univ.2) *Yuki Mitsuta1,2, Toshio Asada1,2 |
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| 15:18-15:36 | 3E10 | AFIR: A new powerful tool for the theoretical investigation of polymer mechanochemistry (Department of Chemistry, Faculty of Science, Hokkaido University1,WPI-ICReDD, Hokkaido University2) *Julong Jiang1, Satoshi Maeda1,2 |
| 15:36-15:54 | 3E11 | Characterizing Reaction Route Map of Realistic Molecules by Persistent Homology with Weight Rank Clique Filtration (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2,National Institute of Advanced Industrial Science and Technology3,Faculty of Engineering Science, Kansai Univ.4,WPI-ICReDD, Hokkaido Univ.5) *Burai Murayama1, Masato Kobayashi2,5, Masamitsu Aoki2, Suguru Ishibashi2, Takuya Saito2, Takenobu Nakamura3, Hiroshi Teramoto4, Tetsuya Taketsugu2,5 |
| 15:54-16:12 | 3E12 | An algorithm for synthetic pathway optimization using Ising machines and a linear relaxation method (RIES, Hokkaido Univ.1,WPI-ICReDD, Hokkaido Univ.2,PRESTO, JST3,Faculty of Science, Hokkaido Univ.4) *Yuta Mizuno1,2,3, Ango Morita4, Tamiki Komatsuzaki1,2 |
| 16:30-16:48 | 3E13 | Understanding of multiple resonance thermally activated delayed fluorescence via quantum chemistry calculations (Institute for Chemical Research, Kyoto Univ.) *Katsuyuki Shizu, Hironori Kaji |
| 16:48-17:06 | 3E14 | Discovery of the enhancement of the parity-violating energy difference in electronic excited states of the CHFClBr molecule using relativistic EOM-CC method (Department of Micro Engineering, Kyoto Univ.1,Institute for Integrated Radiation and Nuclear Science, Kyoto Univ.2) *Naoya Kuroda1, Ayaki Sunaga2, Masato Senami1 |
| 17:06-17:24 | 3E15 | Exciton analysis for π-conjugated molecular aggregates with low-rank wave function theory (Graduate School of Science, Kyoto Univ.) *Soichiro Nishio, Yuki Kurashige |