The 15th Annual Meeting of Japan Society for Molecular Science

Oral Sessions

Sunday, September 19 (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.

Sunday Morning Sessions(September 19, starting at 9:30)

Venue A [Gas phase]

9:30-9:48 2A01Gas phase circular dichroism spectroscopy of albumin anion produced by IR-laser ablation of droplet beam
(Faculty of Science, Gakushuin Univ.) *Hiroya Asami, Akihiro Kitazaki, Jun-ya Kohno
9:48-10:06 2A02Cold ion trap spectroscopy of a partial peptide of adrenoceptor-ligands complexes -Amino acid sequence dependence of molecular recognition-
(School of Life Science and Technology, Tokyo Institute of Technology1,Laboratory for Chemistry and Life Science, Tokyo Institute of Technology2,School of Science, Tokyo Institute of Technology3) *Hiroya Oko1, Shunsaku Hanaichi2, Keisuke Hirata1,2, Shun-ichi Ishiuchi2,3, Masaaki Fujii1,2
10:06-10:24 2A03Too short C≡N bond-lengths in FeNC, CoCN, NiCN: Large amplitude bending motion
(Faculty of Science, Ochanomizu Univ.1,Yokohama City Univ.2,Graduate School of Science, Kyoto Univ.3,Bergische Univ.,Wuppertal4) *Tsuneo Hirano1, Umpei Nagashima2, Masaaki Baba3, Jensen Per4
10:24-10:42 2A04Vibrationally averaged structure of benzene:planar but non-flat structure
(Graduate School of Science, Kyoto Univ.1,Yokohama City University2,Faculty of Science, Ochanomizu Univ.3) *Masaaki Baba1, Umpei Nagashima2, Tsuneo Hirano3
11:00-11:18 2A05Spectroscopic assignment of cis-trans rotational isomers of jet-cooled phenyl isocyanate derivatives
(College of Engineering, Nihon University1,College of Engineering, Nihon University2) Yu-to Naganuma2, Daisuke Ishibashi2, *Katsuhiko Okuyama1
11:18-11:36 2A06Laser-induced fluorescence detection of hydroxyl radicals photodesorbed from liquid nonanoic acid
(Komaba Institute for Science, The University of Tokyo) *Naoki Numadate, Tetsuya Hama
11:36-11:54 2A07Conformation of crown ether complexes with alkylammonium ions under cold gas-phase conditions and its dependence on alkyl chain length
(Department of Advanced Science and Engineering, Hiroshima University, Japan) *Ryosuke Goda, Motoki Kida, Satoru Muramatsu, Yoshiya Inokuchi
11:54-12:12 2A08Gas-phase UV spectroscopy of chemical reaction intermediates produced in solution
(Department of Chemistry, Graduate School of Advanced Science and Technology) *Shiori Machida, Motoki Kida, Satoru Muramatsu, Takehiro Hirao, Takeharu Haino, Yoshiya Inokuchi

Venue B [Surface/Interface]

9:30-9:48 2B01Electrical Double Layer on the Pt(111) Electrode Modeled under Ultrahigh Vacuum Conditions
(Graduate School of Engineering, Chiba Univ.1,Graduate School of Engineering, Osaka Univ.2) *Masashi Nakamura1, Keita Okuda1, Musa Alaydrus2, Ikutaro Hamada2, Nagahiro Hoshi1
9:48-10:06 2B02Electronic Structure of Redox-Active Electrochemical Interface Revealed by Photoelectron Spectroscopy
(RIKEN1,JST PRESTO2,Graduate School of Engineering, Toyama Prefectural Univ.3,Clean Energy Research Center, Univ. Yamanashi4) *Yasuyuki Yokota1,2, Raymond Wong1, Mitsuru Wakisaka3, Junji Inukai4, Yousoo Kim1
10:06-10:24 2B03In-situ ultra-low frequency SERS observation of aqueous electrolyte/electrode interfaces
(Nagoya Inst. Tech.) *Katsuyoshi Ikeda
10:24-10:42 2B04Real time monitoring of decomposition products during charging process of Li-oxygen battery by online mass spectroscopy
(Hokkaido Univ.1,NIMS2) *Yanan Gao1,2, Hitoshi Asahina2, Shoichi Matsuda2, Toshihiko Mandai2, Hidenori Noguchi1,2, Kohei Uosaki2
11:00-11:18 2B05NMR observation of plasmonic hydrogen evolution processes
(Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.1,Faculty of Science, Hokkaido Univ.2) *Daiki Ashizawa1, Tomohiro Fukushima2, Kei Murakoshi2
11:18-11:36 2B06Development of combined plane wave and localized basis sets method toward the analysis of H/D isotope effect of molecular adsorption on the metal surface
(Graduate School of Data Science, Yokohama City Univ.1,Graduate School of Engineering, Hiroshima Univ.2) *Hiroki Sakagami1, Takayoshi Ishimoto2, Masanori Tachikawa1
11:36-11:54 2B07Microkinetics of photoelectrochemical oxidation of water on bismuth vanadate surface
(Toyota Physical and Chemical Research Institute1,Tokyo University of Science2) *Yoshiyasu Matsumoto1, Akihiko Kudo2
11:54-12:12 2B08Design of defect-tolerant materials for visible-light responsive photocatalysts
(Graduate School of Engineering, Toyota Technological Institute1,Japan Fine Ceramics Center2,Graduate School of Engineering, Kyoto University3) *Akira Yamakata1, Kosaku Kato1, Takafumi Ogawa2, Akihide Kuwabara2, Ryu Abe3, Hiroshi Kageyama3

Venue C [Liquid phase]

9:30-9:48 2C01Excited-state dynamics of TCNQ : Time-resolved spectroscopy and quantum chemical calculations
(Department of Sciences and Informatics, Muroran Tech.1,Kwansei Gakuin Univ.2) *Toshifumi Iimori1, Yuto Torii1, Takumi Ishikawa1, Naoto Tamai2
9:48-10:06 2C02Ab initio molecular dynamics for photochemical reaction processes in thermally activated delayed fluorescence molecules
(Faculty of Sci. & Tech., Sophia Uni.) *Tatsuhiro Murakami, Shinkoh Nanbu
10:06-10:24 2C03Multi-step excitation transient spectroscopy for direct observation of higher-lying triplet excited states
(Graduate School of Science, Kyushu Univ.) *Masaki Saigo, Kiyoshi Miyata, Ken Onda
10:24-10:42 2C04Observation of ultrafast excited-state dynamics in Au hexa-core clusters by femtosecond time-resolved absorption spectroscopy
(Molecular Spectroscopy Laboratory, RIKEN1,Graduate School of Science and Engineering, University of Toyama2,Faculty of Environmental Earth Science, Hokkaido University3,Institute for Molecular Science4,Ultrafast Spectroscopy Research Team, RIKEN Center for Advanced Photonics (RAP)5) *Tsukasa Takanashi1, Honoka Watanabe2, Munetaka Iwamura2, Koichi Nozaki2, Yukatsu Shichibu3, Katsuaki Konishi3, Hikaru Kuramochi4, Tahei Tahara1,5
11:00-11:18 2C05Observation of nuclear wave packet motion and structural change process of luminescent platinum (II) complex oligomer in solution by femtosecond transient absorption spectroscopy
(Guraduate School of Science and Engineering, Toyama Univ.1,Molecular Spectroscopy Lab., RIKEN2) *Munetaka Iwamura1, Honoka Watanabe1, Koichi Nozaki1, Tsukasa Takanashi2, Hikaru Kuramochi2, Tahei Tahara2
11:18-11:36 2C06Elucidation of the correlation between ligand conformation and intramolecular energy transfer mechanism in luminescent Eu(III) complexes using time-resolved spectroscopy
(Department of Chemistry, Kyushu Univ.1,Graduate School of Science and Engineering, Hokkaido Univ.2,Faculty of Engineering, Hokkaido Univ.3,WPI-ICReDD, Hokkaido Univ.4) *Shiori Miyazaki1, Kiyoshi Miyata1, Pedro pauro Ferreira da rosa2, Fumiya Suzue2, Yuichi Kitagawa3,4, Yasuchika Hasegawa3,4, Ken Onda1
11:36-12:12 2C07[Invited Talk] NIR light responsive photochromism
(College of Science and Engineering, Aoyama Gakuin Univ.) *Jiro Abe

Venue D [Solid phase]

9:30-9:48 2D01Physical Properties and Crystal Structures of o-Phenylenediamine-Substitute [18]crown-6 Derivatives with Ion Recognition Ability.
(Graduate School of Engineering, Tohoku University1,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University2) *Yuta Shimizu1, Takashi Takeda1,2, Norihisa Hoshino1,2, Tomoyuki Akutagawa1,2
9:48-10:06 2D02Systematic study on guest-induced superionic conductivity in a covalent organic framework
(Graduate School of Science, Tokyo University of Science) *Daiju Amauchi, Masaaki Sadakiyo
10:06-10:24 2D03Structure of [Ni(dmit)2] salt exchanged for organic ammonium ion using channel structure
(Graduate School of Advanced Science and Engineering, Hiroshima Univ.1,CResCent, Hiroshima Univ.2,IAMR, Hiroshima Univ.3,PREST JST4,IMRAM, Tohoku Univ.5,RIES, Hokkaido Univ.6) *Mizuki Ito1, Katsuya Ichihashi1, Daisuke Konno1, Masaru Fujibayashi1, Goulven Cosquer1,2, Katsuya Inoue1,2,3, Tomoyuki Akutagawa5, Takayoshi Nakamura6, Sadafumi Nishihara1,2,3,4
10:24-10:42 2D04Theoretical analysis of proton conduction mechanism for anhydrous imidazolium hydrogen succinate
(CCS, Univ. of Tsukuba1,The Institute for Solid State Physics, Univ. of Tokyo2,Graduate School of Natural Science and Technology, Kanazawa Univ.3,NanoMaRi, Kanazawa Univ.4) *Yuta Hori1, Shun Dekura2, Tomonori Ida3, Motohiro Mizuno3,4, Hatsumi Mori2, Yasuteru Shigeta1
11:00-11:18 2D05Isotropic anhydrous superprotonic conductivity of 1,2,3-triazolium dihydrogen phosphate single crystal
(ISSP, Univ. of Tokyo.) *Kaito Nishioka, Shun Dekura, Hatsumi Mori
11:18-11:36 2D06Anhydrous proton conductivity of an imidazolium phosphate crystal exhibiting orientational disorder of imidazolium
(ISSP, Univ. of Tokyo) *Shun Dekura, Hatsumi Mori
11:36-11:54 2D07Carrier doping into a [Ni(dmit)2] salt by solid state ion exchange
(Graduate School of Advanced Science and Engineering, Hiroshima University1,Chirality Research Center, Hiroshima University2,Institute for Advanced Materials Research, Hiroshima University3,Institute of Multidisciplinary Research for Advanced MaterialsTohoku University4,Research Institute for Electronic Science, Hokkaido University5,JST, PRESTO6) *Jun Manabe1, Katsuya Ichihashi1, Daisuke Konno1, Masaru Fujibayashi1, Goulven Cosquer1,2, Katsuya Inoue1,2,3, Tomoyuki Akutagawa4, Takayoshi Nakamura5, Sadafumi Nishihara1,2,3,6
11:54-12:12 2D08Various Assembled Structures and Modulation of the Electronic/Magnetic Properties based on Multiple Deprotonation-coupled Oxidation of Nickel Catecholdithiolene Complex
(ISSP, The University of Tokyo1,Faculty of Advanced Science and Technology, Kumamoto Univ.2,KEK PF/CMRC3) *So Yokomori1, Shun Dekura1, Akira Ueda2, Reiji Kumai3, Youichi Murakami3, Hatsumi Mori1

Venue E [Theory/Calculation]

9:30-9:48 2E01Molecular orbital recognition - Reaction electronic theory based on data science
(Grad. Sch. Sci., Tech. Innov., Kobe Univ.1,Dept. Sci., Hokkaido Univ.2,ICReDD, Hokkaido Univ.3) *Takao Tsuneda1,2, Tetsuya Taketsugu2,3
9:48-10:06 2E02How do the latest and greatest DFTs fare for transition metals?
(Engineering, Nagasaki Uni) *Bun Chan
10:06-10:24 2E03Rigorous expression of Kohn-Sham potential as a functional of exact electron density
(Graduate School of Science, The University of Tokyo1,Department of Theoretical and Computational Molecular Science, Institute for Molecular Science2) *Tsuyoshi Kato1, Shinji Saito2
10:24-10:42 2E04Size-dependent πgu combination band intensities of polyynes C2nH2 (n=1-9) analyzed by the local CCH bending and the linear response functions
(Graduate School of Science and Technology, Keio Univ.1,Tokyo Institute of Technology2) *Masafumi Tsuyuki1, Yuto Kugaya1, Hideto Kanamori2, Satoshi Yabushita1
11:00-11:36 2E05[Young Scientist Award Talk] Theoretical Study on Response of Nanointerface Systems to Light and Voltage Bias
(Institute for Catalysis) *Kenji Iida
11:36-11:54 2E07Development of the time-dependent configuration interaction singles method for solid state strong field science
(Graduate School of Engineering, The University of Tokyo) *Takuma Teramura, Yasushi Shinohara, Takeshi Sato, Kenichi L. ishikawa
11:54-12:12 2E08First-principles simulation of circularly polarized high harmonic spectroscopy of chiral molecules
(School of Engineering, Univ Tokyo.) *Yoshimitsu Fukui, Yuki Orimo, Takuma Teramura, Takeshi Sato, Kenichi Ishikawa

Sunday Afternoon Sessions(September 19, starting at 15:00)

Venue A   [Gas phase]

15:00-15:18 2A09Orientation-selective molecular ionization of hydrofluorocarbon using intense phase-controlled laser fields
(AIST1,Aarhus Univ.2,The University of Electro-communication3,Moscow Institute of Physics and Technology4,Graduate School of Science,Tohoku Univ.5) *Hideki Ohmura1, Kenichi Okutsu5, L. b. Madsen2, F. Jensen2, O. i. Tolstikhin4, Naoaki Saito1, Morishita Toru3
15:18-15:36 2A10Rotational quantum beats by circular polarization: theory of molecular axis orientation by time-reversal control
(HSUH) *Yoshi-ichi Suzuki
15:36-15:54 2A11[Withdraw]
15:54-16:12 2A12Creation and control of torsional wave packet in biphenyl derivatives using ultrashort laser pulses
(School of Science, Tokyo Tech1,School of Science, Kitasato University2) *Makoto Nikaido1, Kenta Mizuse1,2, Yasuhiro Ohshima1
16:30-16:48 2A13Molecular orientation dependence of electron impact ionization of CO: measurement of the forward-backward asymmetry
(IMRAM, Tohoku Univ.) *Noboru Watanabe, Masahiko Takahashi
16:48-17:06 2A14Observation of an intramolecular atomic momentum distribution using electron-atom Compton scattering
(IMRAM1,Graduate School of Science, Tohoku Univ.2) *Yuichi Tachibana1, Yuuki Onitsuka1, Hirohiko Kono2, Masahiko Takahashi1
17:06-17:24 2A15Molecular-frame angular distribution of laser tunneling electrons from O2 by using probe laser pulses
(Grad. Sch. Science, Nagoya U1,RCMS, Nagoya U2) *Daimu Ikeya1, Hikaru Fujise1, Akitaka Matsuda1, Mizuho Fushitani1, Akiyoshi Hishikawa1,2
17:24-17:42 2A16Observation of EUV nonlinear inner-shell ionization of Kr by electron-ion coincidence spectroscopy
(Graduate School of Science, Nagoya Univ.1,RIKEN2,JASRI3,Institute of Liberal Arts and Science, Univ. of Toyama4,RCMS, Nagoya Univ.5) *Mizuho Fushitani1,2, Shunya Koizumi1, Naoto Taguchi1, Makoto Yamada1, Hikaru Fujise1, Shigeki Owada2,3, Tadashi Togashi2,3, Kyo Nakajima2,3, Makina Yabashi2,3, Akitaka Matsuda1,2, Yasumasa Hikosaka4,2, Akiyoshi Hishikawa1,2,5
17:42-18:00 2A17Probing local structure of iodobenzene by x-ray photoelectron diffraction using soft x-ray free electron laser
(Grad. Sch. Sci., The Univ. Tokyo1,IRS, Osaka Univ.2,Grad. Sch. Eng., Kyoto Univ.3,ISSP, The Univ. Tokyo4,CASTECH, Max Planck POSTECH5,PAL-XFEL6,KEK7,Dip. Sci. Chim., Univ. Trieste8,Ruhr-Univ. Bochum9) *Shinichirou Minemoto1, Takahiro Teramoto2, Takuya Majima3, Tomoya Mizuno4, Je hoi Mun5, Sang han Park6, Soonnam Kwon6, Akira Yagishita7, Piero Decleva8, Mauro Sterner8, Shota Tsuru9

Venue B  [Clusters/particles/nanostructures]

15:00-15:18 2B09Fast vibrational energy transfer between S1 α-tertiophene and metal nanoparticles observed by picosecond time-resolved Raman spectroscopy
(Faculty of Science, Department of Chemistry, Gakushuin University) *Tsukasa Tokita, Koichi Iwata
15:18-15:36 2B10Time-resolved EPR study of conformation change and electronic de-coupling via intramolecular singlet fission
(Molecular Photoscience Research Center, Kobe Univ.1,Department of Chemistry, Keio Univ.2,Faculty of Engineering and Natural Sciences, Tampere Univ.3) *Yasuhiro Kobori1, Masaaki Fuki1, Shunta Nakamura2, Hayato Sakai2, Taku Hasobe2, Nikolai Tkachenko3
15:36-16:12 2B11[Invited Talk] Surface science of physisorption of cyclic polymers
(Faculty of Engineering, Hokkaido Univ.) *Takuya Yamamoto
16:30-16:48 2B13Exciton dynamics in PbS quantum dots-spiropyran derivatives hybrid systems
(Graduate School of Science, Kwansei Gakuin Univ.) *Goki Ono, Daichi Eguchi, Naoto Tamai
16:48-17:06 2B14Ligands Effect of Precisely Synthesized Gold Clusters in the Ultrafast Carrier Dynamics
(Graduate School of Science, Kwansei Gakuin University1,RIKEN Center for Computational Science2) *Daichi Eguchi1, Eisuke Kawashima2, Takahito Nakajima2, Naoto Tamai1
17:06-17:24 2B15Spatial distributions of plasmon-exciton strong coupling visualized by near-field optical microscopy
(Graduate School of Advanced Science, Waseda Univ.1,Faculty of Science, Hokkaido Univ.2) *Seiju Hasegawa1, Asami Yokozawa1, Keisuke Imaeda2, Kohei Imura1
17:24-17:42 2B16Prediction of Size and Shape Distribution of Silver-Nanoparticle Dispersed Material Using DDA Optical Response Calculation and Lasso Regression Analysis
(AIST1,ADMAT2) *Masafuyu Matsui1, Tsuneo Kashiwagi2, Kiwamu Sue1, Ko Osawa2, Tomoo Sigehuzi1, Takashi Tokizaki1, Hisao Nakamura1

Venue C  [Liquid phase | Biomolecules]

15:00-15:18 2C09Experimental Measure of Biradical Character Based on Radical Reactivity
(Aoyama Gakuin University) *Moe Nishijima, Katsuya Mutoh, Jiro Abe
15:18-15:36 2C10Photodecarboxylation reaction and diffusion process of ketoprofen
(Coll. Sci. Eng., Aoyama Gakuin Univ.) *Wataru Kashihara, Tadashi Suzuki
15:36-15:54 2C11Radical addition rate constant of fullerenes determined by time-resolved and pulsed-EPR spectroscopies
(Graduate School of Science, Kanagawa Univ.1,Okayama Univ. of Science2) *Hiroki Hirano1, Hirona Takahashi2, Akio Kawai1
15:54-16:12 2C12Unexpected highly fluorescent isomer formed by negative photochromism of NIR-light-responsive bridged imidazole dimers
(Aoyama Gakuin Univ.) *Natsuho Moriyama, Katsuya Mutoh, Jiro Abe
16:30-16:48 2C13Luminescence quantum yield measurement of NIR luminescent substrate "TokeOni"
(Graduate School of Science and Technology, Gunma Univ.1,Institute for Solid Physics, The University of Tokyo2,Graduate School of Integrated Science and Technology, Shizuoka Univ.3,Graduate School of Informatics and Engineering, UEC4,Center for Neuroscience and Biomedical Engineering, UEC5,School of Pharmacy, Tokyo University of Pharmacy & Life Sciences6,AIST-UTokyo Advanced Operando-Measurement Technology Open Innovation Labo7,Gunma University Center for Foog Science and Wellness8) *Ryohei Ono1,2, Yutaka Takahashi1, Haruhisa Ogawa1, Yoshifumi Noguchi3, Nobuo Kitada4,5, Ryohei Saito-moriya6,4, Shojiro Maki4,5, Takashi Hirano4,5, Keisei Shibata2, Hidefumi Akiyama2,7, Hideyuki Itabashi1,8, Miyabi Hiyama1,8
16:48-17:06 2C14Characterization of the chromophore structure in the photointermediates of a new type of chloride ion-pumping rhodopsin
(Graduate School of Science, Osaka University1,Graduate School of Medical Life Science, Yokohama City University2) *Misao Mizuno1, Naito Ishimoto2, Sam-yong Park2, Yasuhisa Mizutani1
17:06-17:42 2C15[Young Scientist Award Talk] Structural biological study based on spectroscopic analysis of color pigment
(Grad. Sch. Eng., Nagoya Inst. Tech.1,PRESTO sakigake2) *Kota Katayama1,2

Venue D  [Solid phase]

15:00-15:18 2D09Band-filling effect of sulfate-containing 3,4-ethylenedioxythiophene (EDOT) dimer salt
(ISSP, The Univ. of Tokyo) *Ryohei Kameyama, Tomoko Fujino, Shun Dekura, Hatsumi Mori
15:18-15:36 2D10Structures and properties of the α- and β’’- type salts of BEDT-TTF with R-PROXYL-CONHCH2SO3- anion
(Graduate School of Science, Osaka University1,no affiliation2) Dong An1, *Akiko Kohno1, Akane Akutsu2, Hiroki Akutsu1, Yasuhiro Nakazawa1
15:36-15:54 2D11Charge transfer complexes of ethylenedichalcogenothiophene (EDXT: X = O, S) dimers and TCNQ analogs: atom-substituted effects
(The Institute for Solid State Physics, The University of Tokyo) *Tomoko Fujino, Ryohei Kameyama, Kota Onozuka, Kazuki Matsuo, Shun Dekura, Hatsumi Mori
15:54-16:12 2D12Attempt to fabricate phthalocyanine-based conductors with high-spin manganese ion
(Graduate School of Science and Technology, Kumamoto Univ.1,Faculty of Advenced Science and Technology, Kumamoto Univ.2,Graduate School of Science, Osaka Univ.3) *Kosuke Mine1, Hiroshi Murakawa3, Noriaki Hanasaki3, Masaki Matsuda2
16:30-17:06 2D13[Invited Talk] NMR Studies on Molecular Conductors with Selective Isotope Substitution
(Graduate School of Science, Hokkaido Univ.) *Atsushi Kawamoto
17:06-17:24 2D15Development of new molecular conductors based on mixed-ligand platinum complexes with 2,2’-bipyridine and dithiolene ligand derivatives
(Graduate School of Material Science, University of Hyogo1,Graduate School of Science, University of Hyogo2,Research Institute for Electronic Science, Hokkaido University3) *Mizuki Yumino1, Yuna Kim3, Tomofumi Kadoya2, Jun-ichi Yamada2, Kazuya Kubo2
17:24-17:42 2D16Synthesis and Characterization of Organic Charge Transfer Complexes with Dirac Electron Systems under Ambient Pressure
(Graduate School of Science and Engineering, Ehime Univ.1,Graduate School of Engineering, Hokkaido Univ.2) *Ryuhei Oka1, Toshio Naito1, Ichiro Yamane2, Toshihiro Shimada2
17:42-18:00 2D17Solid State Thermal Isomerization and Electronic Structure Changes of Bianthrones
(Graduate School of Science, Osaka Univ.) *Yasukazu Hirao, Yosuke Hamamoto, Takashi Kubo

Venue E  [Theory/Calculation]

15:00-15:18 2E09Calculation of radiative dissociation spectrum of positronium hydride in a doubly excited nonautoionizing state
(IEHE, Tohoku University1,Graduate School of Science, Tohoku Univ.2,Nishina Center, RIKEN3,Graduate School of Science, Yokohama City Univ.4,School of Data Science, Yokohama City Univ.5) *Takuma Yamashita1,2, Emiko Hiyama2,3, Daisuke Yoshida4, Masanori Tachikawa4,5
15:18-15:36 2E10Non-adiabatic ab initio molecular dynamics on ultra-violet photodissociation of methylamine
(Department of Materials and Life Science, Sophia University) *Yurika Takaku, Shinkoh Nanbu
15:36-15:54 2E11Theoretical analysis of solvent effect in the intersystem crossing process appearing in the chemiluminescence mechanism of acridinium esters
(Graduate School of Science and Technology, Sophia Univ.) *Shota Kamiyama, Yurika Takaku, Shinkoh Nanbu
15:54-16:12 2E12Relation between chiral-induced spin selectivity and zeta force in electrical conduction calculation with non-equilibrium Green's function method
(Graduate School of Engineering, Kyoto University) *Takafumi Shimada, Masato Senami
16:30-16:48 2E13Quantum hardware calculations of periodic systems: hydrogen chain and iron crystals
(Cambridge Quantum Computing Ltd.1,Nippon Steel Corporation2) *Kentaro Yamamoto1, David Zsolt manrique1, Irfan Kahn1, Hideaki Sawada2, David Munoz ramo1
16:48-17:06 2E14Quantum computation of the Fermi resonance in CO2
(The University of Tokyo1,DIC Corporation2) *Erik Lötstedt1, Kaoru Yamanouchi1, Takashi Tsuchiya2, Yutaka Tachikawa2
17:06-17:24 2E15Quantum chemical calculations on quantum computers: Transition energy calculations of Be insertion reaction to H2 molecule
(Graduate School of Science, Osaka City University1,JST PRESTO2,CQuERE/TCG-CREST3,Blueqat Inc.4,Faculty of Science, Rikkyo University5,Institute of Industrial Science, The University of Tokyo6) *Kenji Sugisaki1,2,3, Takumi Kato4, Yuichiro Minato4, Koji Okuwaki5, Yuji Mochizuki5,6
17:24-17:42 2E16Optimizing parameterized quantum circuits with free-axis selection
(Keio Quantum Computing Center1,JST, PRESTO2,IBM japan3,JSR Co.4) *Hiroshi Watanabe1,2, Rudy Raymond3,1, Yu-ya Ohnishi4,1, Eriko Kaminishi1,2, Michihiko Sugawara1