Tuesday, 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
Tuesday Morning Sessions(September 21, starting at 9:30)
| 9:30-9:48 | 4A01 | Spectroscopic observation of OH…C hydrogen bond in nonane-water cluster (Graduate School of Science, Tohoku Univ.1,Faculty of Science, Tohoku Univ.2) *Yoshiyuki Matsuda1, Ryo Yasumoto1, Takuma Ito1, Shuma Ueno2, Asuka Fujii1 |
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| 9:48-10:06 | 4A02 | Infrared spectroscopy of protonated methanol-benzene clusters: Range of the cooperative hydrogen bond enhancement by an excess charge in One-dimensional hydrogen-bonded chain (Gaduate School of Science, Tohoku University) *Takeru Kato, Asuka Fujii |
| 10:06-10:24 | 4A03 | Study on CH stretching Fermi triad of benzene clusters by IR spectroscopy (Graduate School of Integrated Science and Technology, Shizuoka Univ.1,Faculty of Science, Shizuoka Univ.2) *Yusuke Ishihara1, Yoshiteru Matsumoto2, Shinnosuke Kawai2 |
| 10:24-10:42 | 4A04 | Enhanced chiral recognition of propylene oxide induced by hydrogen bond (Faculty of Science, Shizuoka Univ.1,Graduate School of Integrated Science and Technology, Shizuoka Univ.2) *Yoshiteru Matsumoto1, Kento Sakurai2 |
| 11:00-11:18 | 4A05 | Observation of Photoionization Induced Water Migration in a 4-Aminobenzonitrile-Water 1:2 Cluster by Infrared Spectroscopy (Graduate School of Science, Ochanomizu Univ.) *Risako Matsuno, Mitsuhiko Miyazaki |
| 11:18-11:36 | 4A06 | How many water molecules are needed for electrolytic dissociation of carboxylate-magnesium complex? —Cold ion trap infrared spectroscopy of hydrated clusters— (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) *Hikaru Takayanagi1,2, Keisuke Hirata2,3, Shun-ichi Ishiuchi2,3, Masaaki Fujii1,2 |
| 11:36-11:54 | 4A07 | Cold ion trap infrared spectroscopy of protonated p-aminobenzoic acid - water clusters - Protomer switching by hydration - (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,Technical University of Berlin, Germany.4,Kitasato University, Japan.5,Institute of Innovative Research WRHI, Tokyo Institute of Technology, Japan.6) *Kyota Akasaka1,2, Fuad Haddad4, Otto Dopfer4,6, Akira Sano2,5, Haruki Ishikawa5, Keisuke Hirata2,3,6, Shun-ichi Ishiuchi2,3,6, Masaaki Fujii1,2,6 |
| 11:54-12:12 | 4A08 | Ion-trajectory simulation for an ion-density distribution in a linear multipole ion trap (Faculty of Science, Kyushu Univ.) *Takefumi Handa, Akira Terasaki |
Venue B [Liquid phase | Surface/Interface]
| 9:30-9:48 | 4B01 | Development of an automatic ordering method for the time variation of all the bands in a spectrum using two-dimensional correlation spectroscopy (Faculty of Pharmaceutical Sciences, Tohoku Univ.1,Graduate School of Pharmaceutical Sciences, Tohoku Univ.2,Graduate School of Science, Tohoku Univ.3) *Kazunori Ban1, Daisuke Miyata2, Shin-ichi Morita3, Takakazu Nakabayashi1,2 |
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| 9:48-10:06 | 4B02 | Elucidation of electron–nuclear dynamics accompanying proton-coupled electron transfer by two-dimensional electronic–vibrational spectroscopy (University of California, Berkeley1,Lawrence Berkeley National Laboratory2,Arizona State University3) *Yusuke Yoneda1,2, S. jimena Mora3, James Shee1, Brian l. Wadsworth3, Eric a. Arsenault1,2, Diptarka Hait1,2, Gerdenis Kodis3, Devens Gust3, Gary f. Moore3, Ana l. Moore3, Martin Head-gordon1,2, Thomas a. Moore3, Graham r. Fleming1,2 |
| 10:06-10:42 | 4B03 | [Young Scientist Award Talk] Femtosecond structural dynamics of complex molecular systems revealed by extreme time-domain Raman spectroscopy using few-cycle pulses (Institute for Molecular Science1,The Graduate University for Advanced Studies (SOKENDAI)2) *Hikaru Kuramochi1,2 |
| 11:00-11:36 | 4B05 | [Young Scientist Award Talk] Development of time-resolved heterodyne-detected vibrational sum frequency generation spectroscopy and its application to interfacial dynamics (Graduate School of Science, Tohoku University) *Ken-ichi Inoue |
| 11:36-11:54 | 4B07 | Zundel-Eigen transformation of hydrated proton at the air-water interface revealed by HD-VSFG spectroscopy and MD simulation (Molecular Spectroscopy Laboratory, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-01981,Ultrafast Spectroscopy Research Team, RIKEN Center for Advanced Photonics (RAP), RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan2,Department of Applied Chemistry, Graduate School of Science and Engineering, University of Toyama, Toyama 930-8555, Japan3,Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan4) *Ahmed Mohammed1,2, Tatsuya Ishiyama3, Ken-ichi Inoue1, Satoshi Nihonyanagi1,2, Akihiro Morita4, Tahei Tahara1,2 |
| 11:54-12:12 | 4B08 | Exploration of electronic states at gas-liquid interfaces using extreme UV laser photoemission spectroscopy (Graduate School of Science, Kyoto Univ.1,Graduate School of Science and Engineering, Univ. of Toyama2,Graduate School of Science, Tohoku Univ.3) *Yo-ichi Yamamoto1, Tatsuya Ishiyama2, Akihiro Morita3, Toshinori Suzuki1 |
Venue C [Clusters/particles/nanostructures]
| 9:30-9:48 | 4C01 | Collision-induced reactions of bimolecular Ions in gas phase (Graduate School of Nanobioscience, Yokohama City Univ.) *Shinji Nonose, Takaaki Iyama, Wataru Kadota, Julie Morishita, Yuto Yonebayashi, Hiroto Ohta, Satofumi Tago, Yasutaka Soga, Soju Tomiyama, Yurika Hayakawa |
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| 9:48-10:06 | 4C02 | Measurement of Charged Nano-droplets by Combined Ion Mobility Spectrometry with Gas Flow Control and Charge Detection. (Department of Chemistry, Toho University) Tomoya Ono, Kanata Oguri, *Toshiki Sugai |
| 10:06-10:24 | 4C03 | Electrical conduction and electronic states of metal-encapsulating silicon-cage superatom assembled films (Fac. Sci. & Eng., Keio Univ.) *Takaho Yokoyama, Tatsuya Chiba, Atsushi Nakajima |
| 10:24-10:42 | 4C04 | Reactivity control of aluminum nanoclusters supported on surfaces by organic substrates and sizes (Fac. Sci. & Eng., Keio Univ.1,Fac. Eng., Osaka City Univ.2) *Tomoya Inoue1, Masahiro Shibuta2, Atsushi Nakajima1 |
| 11:00-11:18 | 4C05 | Reactivity of rhodium oxynitride clusters toward CO investigated by thermal desorption spectrometry (Graduate School of Arts and Sci., Univ. Tokyo) *Ken Miyajima, Xuemei Chen, Toshiaki Nagata, Fumitaka Mafune |
| 11:18-11:36 | 4C06 | Reaction processes of NO decomposition on rhodium clusters investigated by thermal desorption spectrometry in the gas phase (School of Arts and Sciences, The University of Tokyo) *Toshiaki Nagata, Xuemei Chen, Masato Yamaguchi, Ken Miyajima, Fumitaka Mafune |
| 11:36-11:54 | 4C07 | Adsorption forms of NO on Irn+ clusters and their size dependence (Sch. Arts & Sci., Univ. Tokyo1,Radboud Univ.2) *Masato Yamaguchi1, Yufei Zhang1, Olga Lushchikova2, Joost Bakker2, Fumitaka Mafune1 |
| 11:54-12:12 | 4C08 | Reactions of platinum oxide cluster cations with carbon monoxide studied by ion mobility mass spectrometry (Graduate School of Science, Tohoku Univ.) *Yuto Nakajima, Toshiaki Nagata, Keijiro Ohshimo, Fuminori Misaizu |
| 9:30-9:48 | 4D01 | Host-Guest Interaction in a Metal-Organic Framework for Multicolor Photochromism (Graduate School of Information Science, Hokkaido Univ.1,RIES, Hokkaido Univ.2,Faculty of Engineering, Hokkai-Gakuen Univ.3,ICReDD, Hokkaido Univ.4,KU Leuven5) *Taisei Kitagawa1,2, Hideki Fujiwara3, Jenny Pirillo4, Yuh Hijikata4, Kenji Hirai1,2, Hiroshi Ujii1,2,5 |
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| 9:48-10:06 | 4D02 | Structural transformation and circularly polarized luminescence of chiral Eu(III) coordination polymers with phase transition behaviors (Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Engineering, Hokkaido Univ.2,Institute for Chemical Reaction Design and Discovery, Hokkaido Univ.3,Graduate School of Engineering, Kyoto Univ.4) *Makoto Tsurui1, Yuichi Kitagawa2,3, Sunao Shoji2,3, Koji Fushimi2, Masayuki Gon4, Kazuo Tanaka4, Yasuchika Hasegawa2,3 |
| 10:06-10:24 | 4D03 | Ultrafast electron and phonon dynamics of gold thin film irradiated with ultrashort laser pulses (Dept. Chem., School Sci., The Univ. of Tokyo1,Dept. Phys., IIT Bomby2) *Ryosuke Hayashi1, Atsushi Iwasaki1, Parinda Vasa2, Kaoru Yamanouchi1 |
| 10:24-10:42 | 4D04 | Molecular polariton: from chemical reactivity control to superreaction (Graduate School of Engineering, Kyoto University) *Thanh phuc Nguyen |
| 11:00-11:18 | 4D05 | Low-threshold exciton-polariton condensation via fast polariton relaxation in an organic microcavity (OPERA, Kyushu Univ.1,WPI-I2CNER, Kyushu Univ.2,Koala Tech Inc.3,Department of Chemistry, Kyushu Univ.4,IPCM, Sorbonne Univ.5,Department of Engineering Physics, École Polytechnique de Montréal6) *Tomohiro Ishii1, Kiyoshi Miyata4, Masashi Mamada1, Fatima Bencheikh1,3, Fabrice Mathevet5,1, Ken Onda4, Stephane Kena cohen6, Chihaya Adachi1,2 |
| 11:18-11:36 | 4D06 | Analysis of mechanical response on optical properties in low-dimensional nanomaterials by electronic excited state calculations (Nagamori Inst. of Actuators, KUAS1,Faculty of Eng., KUAS2) *Tetsuro Habe1, Koichi Nakamura2 |
| 11:36-11:54 | 4D07 | Synthesis and physical properties of dinuclear zinc(Ⅱ) complex with axial chirality (Graduate School of Science and Engineering, Ibaraki University1,Graduate School of Science and Engineering, Kindai University2) *Daiki Tauchi1, Yoshitane Imai2, Hiroyuki Nishikawa1 |
| 11:54-12:12 | 4D08 | Syntheses and properties of mixed-valence assembles consisting of polyoxometalate and platinum complexes with two kinds of delocalized spin (Faculty of Engineering, Gifu Univ.1,Graduate School of Natural Science and Technology, Gifu Univ.2,Graduate School of Engineering, Gifu Univ.3) *Uemura Kazuhiro1, Hasegawa Haruka2, Takamori Atsushi3 |
| 9:30-9:48 | 4E01 | Multicenter molecular integrals over Slater-type orbitals-Toward theoretical calculations for magnetic resonance spectra (No affiliation) *Kazuhiro Ishida |
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| 9:48-10:06 | 4E02 | Quantum electrodynamic effects for molecular properties of heavy element systems: development of an accurate relativistic molecular theory and its application (KURNS, Kyoto Univ.1,LCPQ, Toulouse III Univ.2) *Ayaki Sunaga1, Maen Salman2, Trond Saue2 |
| 10:06-10:24 | 4E03 | Theoretical calculation of energy difference between enantiomers based on relativistic EOM-CC method: anomalous enhancement by electronic excitation (Department of Micro Engineering, Kyoto Univ.1,Institute for Integrated Radiation and Nuclear Science, Kyoto Univ.2) *Naoya Kuroda1, Takumi Oho1, Ayaki Sunaga2, Masato Senami1 |
| 10:24-10:42 | 4E04 | Time-dependent coupled-cluster method for nonadiabatic molecular dynamics (School of Engineering, U-Tokyo) *Takeshi Sato, Kenichi Ishikawa |
| 11:00-11:18 | 4E05 | Quantum chemistry of Schroedinger level I. Formation of wave function (Quantum Chemistry Research Institute) *Hiroshi Nakatsuji, Hiroyuki Nakashima, Yusaku Kurokawa |
| 11:18-11:36 | 4E06 | Quantum chemistry of Schroedinger level II. Development of local SE method (Quantum Chemistry Research Institute) *Hiroyuki Nakashima, Hiroshi Nakatsuji |
| 11:36-12:12 | 4E07 | [Young Scientist Award Talk] Systematic Approach to Electron Correlation via Spin-symmetry Breaking and Restoration (Graduate School of System Informatics, Kobe Univ.1,JST PRESTO2) *Takashi Tsuchimochi1,2 |
Tuesday Afternoon Sessions(September 21, starting at 15:00)
Venue A [Gas phase | Biomolecules]
| 15:00-15:18 | 4A09 | Observation of laser-assisted (e, 2e) process of Ar in ultrashort intense laser fields (Graduate School of Science, The University of Tokyo1,National Institute for Materials Science2,Friedrich-Alexander Universität Erlangen-Nürnberg3,Faculty of Science, Tokyo Metropolitan University4) *Takashi Hiroi1,2, Yuya Morimoto3, Reika Kanya4, Kaoru Yamanouchi1 |
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| 15:18-15:36 | 4A10 | Association reaction of gaseous C2H4 in femtosecond laser filaments studied by mass spectrometry (Grad. Sc. Sci., Nagoya Univ.1,RCMS, Nagoya Univ.2) *Akitaka Matsuda1, Kentaro Tani1, Yukari Takeuchi1, Yui Hayakawa1, Akiyoshi Hishikawa1,2 |
| 15:36-15:54 | 4A11 | Capturing ultrafast relaxation and roaming processes of H2CO in real time (KPSI-QST1,INRS-EMT2,Univ. Ottawa3,Univ. Maryland4,few-cycle Inc.5,Graduate School of Science, Nagoya Univ.6,RCMS, Nagoya Univ.7,Cornell Univ.8,Georgia Tech.9,Emory Univ.10,NRC of Canada11) *Tomoyuki Endo1,2, Simon Neville3, Vincent Wanie2, Samuel Beaulieu2, Chen Qu4, Jude Deschamps2, Lassonde Philippe2, Bruno Schmidt5, Hikaru Fujise6, Mizuho Fushitani6, Akiyoshi Hishikawa6,7, Paul Houston8,9, Joel Bowman10, Michael Schuurman3,11, Francois Legare2, Heide Ibrahim2 |
| 15:54-16:12 | 4A12 | Numerical simulations of laser-assisted electron scattering in a He droplet (Faculty of Science, Tokyo Metropolitan University1,JST PRESTO2,Graz University of Technology3,Technische Universität Wien4) *Reika Kanya1,2, Leonhard Treiber3, Bernhard Thaler3, Pascal Heim3, Michael Stadlhofer3, Markus Kitzler-zeiler4, Markus Koch3 |
| 16:30-16:48 | 4A13 | Application of gate modulation imaging technique to label-free bioimaging (AIST) *Jun’ya Tsutsumi |
| 16:48-17:06 | 4A14 | Progress in protein solid-state NMR using ultra-fast MAS: applications to amyloid-beta fibrils and other systems (School of Life Science and Technology, Tokyo Institute of Technology1,BDR Center, RIKEN2) *Yoshitaka Ishii1,2 |
| 17:06-17:24 | 4A15 | Theoretical Study on The Effect of GTP Hydrolysis in Ras Protein System (Graduate School of System Informatics, Kobe Univ.) *Ikuo Kurisaki, Shigenori Tanaka |
| 15:00-15:18 | 4B09 | Analysis of reaction mechanism of phase transfer catalyst reaction at liquid-liquid interface (Graduate School of Science, Tohoku University, Japan1,ESICB, Kyoto University, Japan2) *Ai Koizumi1, Naoki Kishimoto1, Hideaki Takahashi1, Akihiro Morita1,2 |
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| 15:18-15:36 | 4B10 | Transport of gaseous molecules in polyelectrolyte membrane studied by free energy and position-dependent diffusion constant (Graduate School of Forntier Sciences, The Univ. of Tokyo1,Graduate School of Engineering, Nagoya University2) *Tetsuro Nagai1, Kazushi Fujimoto2, Susumu Okazaki1 |
Venue C [Clusters/particles/nanostructures]
| 15:00-15:18 | 4C09 | Near infrared photodissociation spectroscopy of cryogenic cluster ions Com+Hen – Size dependence of their electronic structures (Genesis Res. Inst., Inc.1,Toyota Tech. Inst.2) *Hideho Odaka1, Masahiko Ichihashi2 |
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| 15:18-15:36 | 4C10 | Construction of Hydrogen-bonded organic framework based on a phenanthroline derivative (Graduate School of Environmental Science, Hokkaido University1,Graduate School of Engineering science, Osaka University2,RIES, Hokkaido University3) *Zhuxi Yang1, Ichiro Hisaki2, Takayoshi Nakamura3,1 |
| 15:36-15:54 | 4C11 | Size dependence of defect introduction in CdTe nanoparticles (Institute for Chemical Research, Kyoto Univ.1,Graduate School of Science, Tokyo Metropolitan Univ.2) *Ryo Takahata1, Masaki Saruyama1, Masanori Sakamoto1, Seiji Yamazoe2, Toshiharu Teranishi1 |
| 15:54-16:12 | 4C12 | Synthesis of metal-organic frameworks by using tetraarylterphenyl dicarboxylic acid derivatives as an organic ligand (RIES, Hokkaido University1,JST-PRESTO2) *Kenta Kokado1,2, Kiyonori Takahashi1, Chen Xue1, Rui-kang Huang1, Takayoshi Nakamura1 |
| 16:30-16:48 | 4C13 | Numerical analysis of self-assembly pathways for Pd(II) complexes based on chemical reaction networks (Graduate School of Arts and Sciences, The University of Tokyo1,Department of Molecular Engineering, Kyoto University2,ESICB, Kyoto University3,Fukui Institute for Fundamental Chemistry, Kyoto University4) *Satoshi Takahashi1, Hirofumi Sato2,3,4, Shuichi Hiraoka1 |
| 16:48-17:06 | 4C14 | Synthesis of aromatic ladder polymer utilizing coordination nanospaces (Graduate School of Engineering, The Univ. of Tokyo) *Takumi Miura, Takashi Kitao, Takashi Uemura |
| 17:06-17:24 | 4C15 | Theoretical study on single-molecule electron conductivity of π-conjugated molecules for molecular circuit design (Graduate School of Engineering Science, Osaka Univ.1,CSRN, Osaka Univ.2,QIQB, Osaka Univ.3,RCSEC, Osaka Univ.4,ICS, Osaka Univ.5) *Naoka Amamizu1, Hiromasa Sato1, Keigo Cho1, Yasutaka Kitagawa1,2,3,4, Masayoshi Nakano1,2,3,4,5 |
| 15:00-15:18 | 4D09 | Crystal structure and physical properties of a cationic TTF salt with a platinum dimer complex anion bearing hydrogen-bond networks (Graduate School of Science, Kyoto University) *Masaki Donoshita, Yukihiro Yoshida, Hiroshi Kitagawa |
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| 15:18-15:36 | 4D10 | Structural phase transitions exhibited by mixed-ligand metal complexes with pyridine and dithiolene ligand derivatives (Graduate School of Science, University of Hyogo1,Research Institute for Electronic Science, Hokkaido University2,School of Science, University of Hyogo3) *Sonomi Arata1, Yuna Kim2, Tomonori Inoue3, Tomofumi Kadoya1, Jun-ichi Yamada1, Kazuya Kubo1 |
| 15:36-15:54 | 4D11 | Hydrochromic properties of a blue naphthalenediimide salt induced by modulating hydrogen-bond interaction (Graduate School of Science, Tohoku Univ.) *Tappei Tanabe, Tetsu Sato, Kentaro Fuku, Kaiji Uchida, Tamon Yamauchi, Shinya Takaishi, Hiroaki Iguchi |
| 15:54-16:12 | 4D12 | Solvent Vapor-Induced Polarity Switching (Department of Chemistry, Faculty of Science, Tokyo University of Science) *Fumiya Kobayashi, Misato Gemba, Makoto Tadokoro |
| 16:30-16:48 | 4D13 | Solid-State Adsorption Property of Dihydrogen Complex (Graduate School of Science, Tohoku University1,Graduate School of Environmental Science, Hokkaido University2) *Tamon Yamauchi1, Kaiji Uchida1, Hiroaki Iguchi1, Naoki Kishimoto1, Shinichiro Noro2, Shinya Takaishi1 |
| 16:48-17:06 | 4D14 | Metallacycle-based Porous Molecular Conductor (Graduate School of Science,Tohoku University) *Mengxing Cui, Ryuichi Murase, Yongbing Shen, Tetsu Sato, Shinya Takaishi, Hiroaki Iguchi |
| 17:06-17:24 | 4D15 | 1D/2D/3D reversible dimensional transformations in copper(Ⅱ) coordination polymers (Graduate School of Science, Kyoto University) *Yao Jing, Yukihiro Yoshida, Pingping Huang, Hiroshi Kitagawa |
| 17:24-17:42 | 4D16 | Construction of rigid porous molecular conductors with sulfate ion as a pillar ligand (Graduate School of science, Tohoku Univ.) *Kaito Hirakawa, Liyuan Qu, Shohei Koyama, Hiroaki Iguchi, Shinya Takaishi |
| 15:00-15:18 | 4E09 | Theoretical study on the mechanism of size and diradical character dependences of the second hyperpolarizability for one-dimensional multiradicaloids (Graduate School of Engineering Science, Osaka University1,Osaka Institute of Public Health2,Center for Spintronics Research Network (CSRN), Osaka University3,Quantum Information and Quantum Biology Division (QIQB), Osaka University4,Innovative Catalysis Science Division (ICS), Institute for Open and Transdisciplinary Research Initiatives (OTRI), Osaka University5,Research Center for Solar Energy Chemistry (RCSEC), Osaka University6) *Wataru Yoshida1, Hiroshi Matsui2, Ryota Sugimori1, Ryohei Kishi1,3, Masayoshi Nakano1,3,4,5,6 |
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| 15:18-15:36 | 4E10 | Theoretical study on singlet fission dynamics in one-dimensional aggregate models composed of bowl-shaped peropyrene analogues (Graduate School of Engineering Science, Osaka Univ.1,CSRN, Osaka Univ.2,QIQB, Osaka Univ.3,ICS, Osaka Univ.4,RCSEC, Osaka Univ.5) *Kenji Okada1, Kazuaki Tokuyama1, Ryota Sakai1, Masayoshi Nakano1,2,3,4,5 |
| 15:36-15:54 | 4E11 | Electronic structure informatics of indigoids for singlet-fission (Chuo University) *Fabian Weber, Hirotoshi Mori |
| 15:54-16:12 | 4E12 | Quantum chemistry-machine learning combined approach for computational design of functional polymers for nonlinear optics application. (Interdisciplinary Graduate School of Engineering Sciences, Kyushu University) *Mariia Ivonina, Yuichi Orimoto, Yuriko Aoki |
| 16:30-16:48 | 4E13 | Learning Organo-Transition Metal Catalysis Using Graph Neural Networks (Graduate School of Informatics, Nagoya Univ.1,Institute of Materials and Systems for Sustainability, Nagoya Univ.2) *Motoji Sakai1, Mitsunori Kaneshige1, Koji Yasuda1,2 |
| 16:48-17:06 | 4E14 | Prediction of property of drug with machine learning and molecular orbital energies (Department of Chemistry, Josai University1,Faculty of Pharmaceutical Science, Josai University2) *Hiroyuki Teramae1, Meyan Xuan2, Tsukasa Yamashita2, Jun Takayama2, Mari Okazaki2, Takeshi Sakamoto2 |
| 17:06-17:24 | 4E15 | Sparse sampling approach to efficient ab initio calculations at finite temperature (Dept. of Phys., Saitama Univ.1,Dept. of Phys., Univ. of Michigan2,TU Wien3) *Hiroshi Shinaoka1, Jia Li2, Markus Wallerberger3, Naoya Chikano1, Chia-nan Yeh2, Emanuel Gull2 |