Orimoto Yuuichi 折本裕一

… Alternative Names

折本裕一オリモトユウイチ

ORIMOTO YUUICHI 折本裕一

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Researcher Number	00398108
Other IDs
Affiliation (Current)	2025: 九州大学, 総合理工学研究院, 学術研究員
Affiliation (based on the past Project Information) *help	2021 – 2023: 九州大学, 総合理工学研究院, 学術研究員 2019: 九州大学, 総合理工学研究院, 学術研究員 2013 – 2018: 九州大学, グリーンアジア国際リーダー教育センター, 助教 2006: 九州大学, 高等研究機構, 学術研究員 2005: 九州大学, 大学院総合理工学研究院, 学芸研究員
Review Section/Research Field	Principal Investigator Basic Section 61030:Intelligent informatics-related / Drug development chemistry / Transition State Control / Bio-related chemistry Except Principal Investigator Physical chemistry
Keywords	Principal Investigator 電子状態 / オーダーN Elongation法 / 電子状態計算 / ニューラルネットワーク / 分子機能設計 / 機械学習 / 軌道相互作用解析 / 蛋白質 / スルースペース／ボンド軌道相互作用 / 構造最適化（エネルギー勾配法） … More / タンパク質 / 分子認識 / 結合エネルギー / 分子標的薬 / スルースペース／ボンド相互作用 / 反応経路解析 / 振動解析 / 軌道間相互作用 / 遷移状態 / 酵素触媒反応 / 導電性 / 非線形光学(NLO)特性 / 強磁性 / 導電性・半導体性 / スルースペース/ボンド相互作用解析法 / O(N) Elongation法 / DNA / 機能性人工核酸 … More Except Principal Investigator Bond法 / Through Space / Through-space / Elongation法 / 非経験的MO法 / 電子移動反応 / 溶媒効果 / タンパク質 / bond法 / Throuh-sace / Elonation法 Less

高精度分子機能設計のための軌道相互作用解析－機械学習連携手法の開発Principal Investigator
- Principal Investigator
  
  折本裕一
- Project Period (FY)
  2021 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 61030:Intelligent informatics-related
- Research Institution
  Kyushu University
Orbital interaction based binding energy analysis for designing molecular targeted drugsPrincipal Investigator
- Principal Investigator
  
  ORIMOTO Yuuichi
- Project Period (FY)
  2016 – 2019
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Drug development chemistry
- Research Institution
  Kyushu University
Quantum chemistry method to analyze important orbital interactions in enzymatic reactions for controlling their reaction pathPrincipal Investigator
- Principal Investigator
  
  ORIMOTO YUUICHI
- Project Period (FY)
  2015 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Transition State Control
- Research Institution
  Kyushu University
Efficient functional design of artificial DNA using order-N elongation methodPrincipal Investigator
- Principal Investigator
  
  ORIMOTO YUUICHI
- Project Period (FY)
  2013 – 2015
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Bio-related chemistry
- Research Institution
  Kyushu University
溶液中タンパク質におけるtrough-bond電子移動経路の定量的評価方法の構築
- Principal Investigator
  
  青木百合子
- Project Period (FY)
  2004 – 2006
- Research Category
  
  Grant-in-Aid for Exploratory Research
- Research Field
  
  Physical chemistry
- Research Institution
  Kyushu University

All 2024 2023 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2006 2005

All Journal Article Presentation Book

[Book] “Quantum chemical approach for organic ferromagnetic material design”, SPRINGER BRIEFS IN MOLECULAR SCIENCE, ELECTRICAL AND MAGNETIC PROPERTIES OF ATOMS, MOLECULES, AND CLUSTERS2017
- Author(s)
  Yuriko Aoki, Yuuichi Orimoto and Akira Imamura
- Total Pages
  138
- Publisher
  Springer International Publishing
- ISBN
  9783319498270
- Data Source
  KAKENHI-PROJECT-15KT0146
[Book] “Quantum chemical approach for organic ferromagnetic material design”, SPRINGER BRIEFS IN MOLECULAR SCIENCE, ELECTRICAL AND MAGNETIC PROPERTIES OF ATOMS, MOLECULES, AND CLUSTERS2017
- Author(s)
  Yuriko Aoki, Yuuichi Orimoto and Akira Imamura
- Total Pages
  138
- Publisher
  Springer International Publishing
- ISBN
  9783319498270
- Data Source
  KAKENHI-PROJECT-16K08321
[Journal Article] Theoretical design of durable and strong polycarbonates against photodegradation2024
- Author(s)
  Huang Xiao、Orimoto Yuuichi、Aoki Yuriko
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 26 Issue: 1 Pages: 57-61
- DOI
  10.1039/d3cp03533f
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23KJ1736, KAKENHI-PROJECT-21K12014, KAKENHI-PROJECT-20H00588
[Journal Article] Multiscale investigation for CO2 capture using membrane with AEEA: Significance of fluid flow and AEEA content to CO2 permeance2023
- Author(s)
  Higashino Makoto、Aso Daiki、Orimoto Yuuichi、Aoki Yuriko
- Journal Title
  
  International Journal of Heat and Mass Transfer
  
  Volume: 201 Pages: 123564-123564
- DOI
  10.1016/j.ijheatmasstransfer.2022.123564
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K12014, KAKENHI-PROJECT-20H00588
[Journal Article] Fast and Accurate Calculation of the UV?Vis Spectrum with the Modified Local Excitation Approximation2023
- Author(s)
  Mashkovtsev Denis、Orimoto Yuuichi、Aoki Yuriko
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 19 Issue: 16 Pages: 5548-5562
- DOI
  10.1021/acs.jctc.3c00266
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K12014, KAKENHI-PROJECT-20H00588
[Journal Article] Effects of fluid flow on the rate limiting for CO2 capture by an AEEA containing membrane2023
- Author(s)
  Higashino Makoto、Aso Daiki、Yamashita Yosei、Orimoto Yuuichi、Aoki Yuriko
- Journal Title
  
  Journal of Environmental Chemical Engineering
  
  Volume: 11 Issue: 5 Pages: 110820-110820
- DOI
  10.1016/j.jece.2023.110820
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K12014, KAKENHI-PROJECT-20H00588
[Journal Article] Why does 2-(2-aminoethylamino)ethanol have superior CO<sub>2</sub> separation performance to monoethanolamine? A computational study2022
- Author(s)
  Aso Daiki、Orimoto Yuuichi、Higashino Makoto、Taniguchi Ikuo、Aoki Yuriko
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 24 Issue: 23 Pages: 14172-14176
- DOI
  10.1039/d2cp01136k
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K12014, KAKENHI-PROJECT-20H00588
[Journal Article] Local electronic structure analysis by <i>ab initio</i> elongation method: A benchmark using DNA block polymers2022
- Author(s)
  Orimoto Yuuichi、Hisama Keisuke、Aoki Yuriko
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 156 Issue: 20 Pages: 204114-204114
- DOI
  10.1063/5.0087726
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K12014, KAKENHI-PROJECT-20H00588
[Journal Article] Computational approach for investigating the mechanism of carbon dioxide interaction by 2-(2-aminoethylamino)ethanol: A significant role of water molecule2021
- Author(s)
  Aso,D., Orimoto,Y., Higashino,M., Taniguchi,I. and Aoki,Y.
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 783 Pages: 139070-139070
- DOI
  10.1016/j.cplett.2021.139070
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K04376, KAKENHI-PROJECT-21K12014, KAKENHI-PROJECT-20H00588
[Journal Article] Theoretical Analysis of Properties of Ground and Excited States for Photodissociation of the C-O Bond in Polycarbonates2021
- Author(s)
  Huang Xiao、Orimoto Yuuichi、Aoki Yuriko
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 125 Issue: 31 Pages: 6662-6673
- DOI
  10.1021/acs.jpca.1c03074
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K12014, KAKENHI-PROJECT-20H00588
[Journal Article] Ab initio multi-level layered elongation method and its application to local interaction analysis between DNA bulge and ligand molecules2021
- Author(s)
  Hisama Keisuke、Orimoto Yuuichi、Pomogaeva Anna、Nakatani Kazuhiko、Aoki Yuriko
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 155 Issue: 4 Pages: 044110-044110
- DOI
  10.1063/5.0050096
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K12014, KAKENHI-PROJECT-20H00588
[Journal Article] Extent of Structural Change during the Reaction and Its Relationship to Isoselectivity in Polypropylene Polymerization with ansa-Zirconocene/Borate Catalyst: A Computational Study2019
- Author(s)
  Y. Orimoto, S. Shirane, and Y. Aoki
- Journal Title
  
  J. Comput. Chem.
  
  Volume: 40 Issue: 30 Pages: 2622-2635
- DOI
  10.1002/jcc.26040
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16KT0059, KAKENHI-PROJECT-16K08321
[Journal Article] Extraction of One-Handed Helical Frontier Orbital in Even [n]Cumulenes by Breaking Mirror Images of Right- and Left-Handed Helical Orbitals: Theoretical Study2019
- Author(s)
  Orimoto Yuuichi、Aoki Yuriko、Imamura Akira
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 印刷中 Issue: 17 Pages: 11134-11139
- DOI
  10.1021/acs.jpcc.9b01829
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15KT0146, KAKENHI-PROJECT-16KT0059, KAKENHI-PROJECT-16K08321
[Journal Article] One-Handed Helical Orbitals in Conjugated Molecules2018
- Author(s)
  Aoki Yuriko、Orimoto Yuuichi、Imamura Akira
- Journal Title
  
  ACS Central Science
  
  Volume: 4 Issue: 6 Pages: 664-665
- DOI
  10.1021/acscentsci.8b00228
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K08321, KAKENHI-PROJECT-15KT0146, KAKENHI-PROJECT-16KT0059
[Journal Article] Role of Pyridinium Groups and Iodide Ions in Photoelectrochromism in Viologen-Based Ion-Pair Charge-Transfer Complexes: Molecular Orbital Analysis2018
- Author(s)
  Orimoto Yuuichi、Ishimoto Kosuke、Aoki Yuriko
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 122 Issue: 8 Pages: 4546-4556
- DOI
  10.1021/acs.jpcc.7b10281
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15KT0146, KAKENHI-PROJECT-16K08321, KAKENHI-PROJECT-16KT0059
[Journal Article] Theoretical Study of Cu Intercalation Through a Defect in Zero-Layer Graphene on SiC Surface2017
- Author(s)
  Yuuichi Orimoto, Kohei Otsuka, Kazuma Yagyu, Hiroshi Tochihara,Takayuki Suzuki, and Yuriko Aoki
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 121 Issue: 13 Pages: 7294-7302
- DOI
  10.1021/acs.jpcc.7b00314
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-16KT0059, KAKENHI-PROJECT-15K04630, KAKENHI-PROJECT-15KT0146, KAKENHI-PROJECT-16K08321
[Journal Article] Importance of Through-Space Interaction of [2,2′]-Paracyclophane-oligo(p-phenylenevinylene) Molecular Wires for Photovoltaic Application and Effective Wire Design by Chemical Substitution2017
- Author(s)
  Yuuichi Orimoto, Kohei Kato, and Yuriko Aoki
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 121 Issue: 33 Pages: 17703-17711
- DOI
  10.1021/acs.jpcc.7b05730
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16KT0059, KAKENHI-PROJECT-15KT0146, KAKENHI-PROJECT-16K08321
[Journal Article] Automated property optimization via ab initio O(N) elongation method: application to (hyper-)polarizability in DNA2016
- Author(s)
  Yuuichi Orimoto and Yuriko Aoki
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 145 Issue: 2
- DOI
  10.1063/1.4956456
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-16KT0059, KAKENHI-PROJECT-15KT0146
[Journal Article] Computational study of Cu-containing artificial DNA: twist angle dependence of magnetism2016
- Author(s)
  Yuuichi Orimoto and Yuriko Aoki
- Journal Title
  
  ChemistrySelect
  
  Volume: 1 Issue: 17 Pages: 5521-5529
- DOI
  10.1002/slct.201600940
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-16KT0059, KAKENHI-PROJECT-15KT0146
[Journal Article] Ab initio O(N) elongation-counterpoise method for BSSE-corrected interaction energy analyses in biosystems2015
- Author(s)
  Yuuichi Orimoto, Ryohei Yamamoto, Peng Xie, Kai Liu, Akira Imamura, and Yuriko Aoki
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 142 Issue: 10 Pages: 104111-104111
- DOI
  10.1063/1.4913931
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-25810103, KAKENHI-PROJECT-23245005
[Journal Article] Elongation method for electronic structure calculations of random DNA sequences2015
- Author(s)
  Yuuichi Orimoto, Kai Liu, and Yuriko Aoki
- Journal Title
  
  J. Comput. Chem.
  
  Volume: 36 Issue: 28 Pages: 2103-2113
- DOI
  10.1002/jcc.24047
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23245005, KAKENHI-PROJECT-25810103
[Journal Article] Quantum-Chemical Approach to the Solvatochromic Transition in Polysilane Derivatives2006
- Author(s)
  Y.Orimoto, et al.
- Journal Title
  
  J. Polym. Sci. Part B : Polymer Physics 44(1)
  
  Pages: 119-133
- Data Source
  KAKENHI-PROJECT-16655009
[Journal Article] Analytical Method for Predicting Ferromagnetic Properties of Benzyl-Radical Polymers Based on NBMO Theory2006
- Author(s)
  Y.Orimoto
- Journal Title
  
  J. Phys. Chem. A 110(17)
  
  Pages: 5803-5808
- Data Source
  KAKENHI-PROJECT-16655009
[Journal Article] Anaytical Method for Predicting Ferromagnetic Properties of Benzyl-Radical Polymers Based on NBMO Theory2006
- Author(s)
  Y.Orimoto et al.
- Journal Title
  
  J.Chem.Theory Comput. (in press)
- Data Source
  KAKENHI-PROJECT-16655009
[Journal Article] Quantum-Chemical Approach to the Solvatochromic Transition in Polysilane Derivatives2006
- Author(s)
  Y.Orimoto et al.
- Journal Title
  
  J.Polym.sci.Part B: Polymer Physic 44
  
  Pages: 119-133
- Data Source
  KAKENHI-PROJECT-16655009
[Journal Article] Ab Initio MO Analysis of Interaction Paths between Radicals in Ferromagnetic Organic Systems2006
- Author(s)
  Y.Orimoto et al.
- Journal Title
  
  J.Phys.Chem.A (in press)
- Data Source
  KAKENHI-PROJECT-16655009
[Journal Article] Ab initio MO study on [3+2] annulation using β-phenylthio-acryloysilanes with alkyl methyl ketone enolates and its through-space/bond interaction analysis2005
- Author(s)
  Y.Orimoto et al.
- Journal Title
  
  Org.Biomol.Chem 3
  
  Pages: 2244-2249
- Data Source
  KAKENHI-PROJECT-16655009
[Journal Article] NBO-Based CI/MP Through-Space/Bond Interaction Analysis and its Application to Stereoelectronic Effects in SN2 Reactions2005
- Author(s)
  Y.Orimoto et al.
- Journal Title
  
  Int.J.Quantum Chem. 104
  
  Pages: 911-918
- Data Source
  KAKENHI-PROJECT-16655009
[Journal Article] NBO-Based CI/MP Through-Space/Bond Interaction Analysis and its Application to Stereoelectronic Effects in SN2 Reactions2005
- Author(s)
  Y.Orimoto, K.Naka, Y.Aoki
- Journal Title
  
  Int.J.Quantum Chem (in press)
- Data Source
  KAKENHI-PROJECT-16655009
[Presentation] 軌道間相互作用を記述子とした分子構造と導電特性の関係予測2023
- Author(s)
  〇折本裕一、青木百合子
- Organizer
  第17回分子科学討論会, 大阪
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Order-N Elongation method toward multiscale calculations2023
- Author(s)
  〇Yuriko Aoki, Yuuichi Orimoto
- Organizer
  TACC2023, Sapporo
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Order-N Elongation method for highly accurate bio/material designs2023
- Author(s)
  Yuriko Aoki, Yuuichi Orimoto
- Organizer
  Asia Pacific Conference of Theoretical and Computational Chemistry (APATCC-10), Vietnam
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] メチル化 DNAにおける突然変異誘発:TS/TB軌道相互作用による量子化学的解析2023
- Author(s)
  イヴォニナマリア、折本裕一、〇青木百合子
- Organizer
  第17回分子科学討論会, 大阪
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Through-space/Through-bond method for analyzing molecular orbital interactions and its application to DNA mutations2023
- Author(s)
  Mariia Ivonina, Yuuichi Orimoto, Yuriko Aoki
- Organizer
  Asia Pacific Conference of Theoretical and Computational Chemistry (APATCC-10), Vietnam
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Novel Polycarbonate Material Design of Light-Resistance: a Theoretical Investigation2023
- Author(s)
  Xiao Huang, Yuuichi Orimoto, Yuriko Aoki
- Organizer
  Asia Pacific Conference of Theoretical and Computational Chemistry (APATCC-10), Vietnam
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Computational analysis of local electronic structures in block sequence DNA/RNA via elongation method and neural networks2022
- Author(s)
  Yuuichi Orimoto, Keisuke Hisama, Yuriko Aoki
- Organizer
  The 49th International Symposium on Nucleic Acids Chemistry 2022 (ISNAC2022), Tokyo
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Modified Local Excitation Approximation for fast and accurate TDDFT calculations in photoactive center of macromolecules2022
- Author(s)
  D. Mashkovtsev, Y. Orimoto，and Y. Aoki
- Organizer
  第16回分子科学討論会, 横浜
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Elongation法と散逸粒子動力学法の結合による高精度粗視化シミュレーション法の開発2022
- Author(s)
  折本裕一，麻生大樹，青木百合子
- Organizer
  第16回分子科学討論会, 横浜
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Theoretical exploitation of novel light-resistant polycarbonate material design2022
- Author(s)
  X. Huang，Y. Orimoto，and Y. Aoki
- Organizer
  第16回分子科学討論会, 横浜
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Exploring the mutagenesis mechanism in DNA damaged by O6-methylguanine via through-space/bond orbital interaction analysis2022
- Author(s)
  M. Ivonina, Y. Orimoto，and Y. Aoki
- Organizer
  第16回分子科学討論会, 横浜
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Analyzing chemical bonds via “Through-space/Through-bond” method: application to DNA mutations2022
- Author(s)
  M. Ivonina, Y. Orimoto, and Y. Aoki
- Organizer
  Riken International HPC Summer School 2022, Greece
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Si及びGe(001)表面ダイマーのフリップフロップ運動の原子レベルメカニズム2021
- Author(s)
  塩田知弥, 栃原浩, 水上渉, 折本裕一, 青木百合子
- Organizer
  日本物理学会2021年秋季大会
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Fast calculation of electron excitations based on Regional Localized Molecular Orbitals2021
- Author(s)
  D. Mashkovtsev，Y. Orimoto，Y. Aoki
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Elongation法による巨大系電子状態の高精度ハイスループット演算と機械学習連携2021
- Author(s)
  折本裕一, 青木百合子
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Quantum chemistry-machine learning combined approach for computational design of functional polymers for nonlinear optics application2021
- Author(s)
  M. Ivonina，Y. Orimoto，Y. Aoki
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] エロンゲーション法と機械学習の連携によるDNA ブロックポリマーの高効率局所電子構造解析2021
- Author(s)
  久間圭祐、折本裕一、青木百合子
- Organizer
  第70回高分子討論会
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Elongation method and machine learning for computational design of functional organic polymers2021
- Author(s)
  M. Ivonina, Y. Orimoto, and Y. Aoki
- Organizer
  Riken International HPC Summer School 2021
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Theoretical analysis on properties of ground and excited states for photodissociation of C-O bond in polycarbonate2021
- Author(s)
  X. Huang，Y. Orimoto，Y. Aoki
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] 多階層エロンゲーション法の構築及びDNAバルジ認識分子探索への応用2021
- Author(s)
  久間圭祐，折本裕一，Pomogaeva Anna，中谷和彦，青木百合子
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Computational ligand design for DNA/RNA bulge recognition by a combination of multi-level layered elongation method and machine learning2021
- Author(s)
  Yuuichi Orimoto, Keisuke Hisama, Kazuhiko Nakatani, Yuriko Aoki
- Organizer
  the 48th International Symposium on Nucleic Acids Chemistry (ISNAC 2021)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K12014
[Presentation] Nonlinear optical properties of push-pull π-conjugated molecules via elongation-FF method2020
- Author(s)
  Mariia V. Ivonina, Yuuichi Orimoto and Yuriko Aoki
- Organizer
  The 2nd R-CCS international symposium, Kobe, Japan
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] 直線炭素鎖分子Cumuleneの特異な螺旋状分子軌道―化学修飾による左右螺旋の分離と機能設計―2019
- Author(s)
  折本裕一，大川育子，青木百合子
- Organizer
  第13回分子科学討論会（名古屋）
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] A Linear Scaling Approach for Efficient Geometry Optimization in Perturbed DNAs2019
- Author(s)
  Yuriko Aoki, Yuuichi Orimoto, Anna Pomogaeva
- Organizer
  Asia-Pacific Association of Theoretical and Computational Chemists (APATCC 2019), Sydney, Australia
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] 特異的な構造特性と電子状態を示す有限ナノリボンと有機太陽電池ワイヤへの応用2019
- Author(s)
  青木百合子，折本裕一
- Organizer
  第13回分子科学討論会（名古屋）
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] Elongation法によるDNA損傷修復解明のための見える化システムの構築2019
- Author(s)
  青木　百合子、折本　裕一
- Organizer
  2019年度九州大学オープンイノベーションワークショップ（福岡）
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] Computer-aided molecular design for DNA bulge recognition ligands by order-N elongation method2019
- Author(s)
  Yuuichi Orimoto, Anna Pomogaeva, Keisuke Hisama, Ayaka Yano, Koichi Miyagawa, Kazuhiko Nakatani, Yuriko Aoki
- Organizer
  the 46th International Symposium on Nucleic Acids Chemistry, the 3rd Annual Meeting of Japan Society of Nucleic Acid Chemistry (ISNAC 2019), Tokyo, Japan
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] Linear-scaling two-ways elongation method for local perturbation on nanotubes/DNA2019
- Author(s)
  Y. Aoki, Y. Orimoto, A. Pomogaeva
- Organizer
  Current Trends in Theoretical Chemistry VIII, Krakow, Poland
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] メタロセン触媒の高イソ選択的オレフィン重合反応の量子化学的機構解明－遷移状態構造における歪と緩和－2018
- Author(s)
  折本裕一、白根聡、青木百合子
- Organizer
  シンポジウム「化学反応経路探索のニューフロンティア2018」、福岡
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] Ab initio MO study of propylene polymerization by zirconocene/borate catalyst2018
- Author(s)
  Yuuichi Orimoto, Satoru Shirane, Yuriko Aoki
- Organizer
  16-th V.A. Fock Meeting on Theoretical, Quantum and Computational Chemistry, Sochi(Russia)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] Mechanism of highly selective olefin polymerization by metallocene catalyst: computational approach2018
- Author(s)
  Yuuichi Orimoto, Satoru Shirane and Yuriko Aoki
- Organizer
  IRCCS-JST CREST Joint Symposium, Fukuoka
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] 高精度かつ効率的ナノチューブ表面反応の電子状態解析法2018
- Author(s)
  Pomogaeva Anna，折本裕一，青木百合子
- Organizer
  第12回分子科学討論会、福岡
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] High throughput molecular design/exploration for DNA bulge/mismatch recognition: computational approach by elongation method2018
- Author(s)
  Yuuichi Orimoto, Anna Pomogaeva, Ayaka Yano, Kazuhiko Nakatani, Yuriko Aoki
- Organizer
  The 45th International Symposium on Nucleic Acids Chemistry (ISNAC2018), Kyoto(JAPAN)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] Development of efficient elongation method toward locally perturbed aperiodic nano/bio systems2018
- Author(s)
  Yuriko Aoki, Anna Pomogaeva, Yuuichi Orimoto
- Organizer
  7th JCS SYMPOSIUM, PRAGUE (Czech Republic)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] Ab initio MO study of propylene polymerization by zirconocene/borate catalyst2018
- Author(s)
  Yuuichi Orimoto, Satoru Shirane, and Yuriko Aoki
- Organizer
  16-th V.A. Fock Meeting on Theoretical, Quantum and Computational Chemistry, Sochi(Russia)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] 多階層Elongation構造最適化法によるDNAバルジ／ミスマッチ認識分子の効率探索と理論設計2018
- Author(s)
  折本裕一，Pomogaeva Anna, 矢野綾香，中谷和彦，青木百合子
- Organizer
  第12回分子科学討論会、福岡
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] Mechanism of highly selective olefin polymerization by metallocene catalyst: computational approach2018
- Author(s)
  Yuuichi Orimoto, Satoru Shirane and Yuriko Aoki
- Organizer
  IRCCS-JST CREST Joint Symposium, Fukuoka
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] 光学スイッチ設計に向けたビオロゲン含有ポリマーのフォトエレクトロクロミズムに関する量子化学的研究2018
- Author(s)
  石本晃佑，折本裕一，青木百合子
- Organizer
  第12回分子科学討論会、福岡
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] ナノリボン末端修飾による構造転移に関する量子化学的研究－有機太陽電池ワイヤー設計に向けて－2018
- Author(s)
  青木百合子、折本裕一
- Organizer
  シンポジウム「化学反応経路探索のニューフロンティア2018」、福岡
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] 高精度かつ効率的ナノチューブ表面反応の電子状態解析法2018
- Author(s)
  Pomogaeva Anna，折本裕一，青木百合子
- Organizer
  第12回分子科学討論会、福岡
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] High throughput molecular design/exploration for DNA bulge/mismatch recognition: computational approach by elongation method2018
- Author(s)
  Yuuichi Orimoto, Anna Pomogaeva, Ayaka Yano, Kazuhiko Nakatani, Yuriko Aoki
- Organizer
  The 45th International Symposium on Nucleic Acids Chemistry (ISNAC2018), Kyoto(JAPAN)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] 光学スイッチ設計に向けたビオロゲン含有ポリマーのフォトエレクトロクロミズムに関する量子化学的研究2018
- Author(s)
  石本晃佑，折本裕一，青木百合子
- Organizer
  第12回分子科学討論会、福岡
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] メタロセン触媒の高イソ選択的オレフィン重合反応の量子化学的機構解明－遷移状態構造における歪と緩和－2018
- Author(s)
  折本裕一、白根聡、青木百合子
- Organizer
  シンポジウム「化学反応経路探索のニューフロンティア2018」、福岡
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] ナノリボン末端修飾による構造転移に関する量子化学的研究－有機太陽電池ワイヤー設計に向けて－2018
- Author(s)
  青木百合子、折本裕一
- Organizer
  シンポジウム「化学反応経路探索のニューフロンティア2018」、福岡
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] リパーゼのエナンチオ選択性の発現に関する量子化学的反応機構解析2018
- Author(s)
  汐見彩花，折本裕一，青木百合子
- Organizer
  第12回分子科学討論会、福岡
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] Elongation method for efficient quantum chemistry calculations toward functional designs of bio/nano materials2018
- Author(s)
  Yuriko Aoki, Wataru Mizukami, Ikuko Okawa, Yuuichi Orimoto
- Organizer
  第一回　九州大学女性研究者ダイバーシティーシンポジウム、福岡
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] Elongation method for efficient quantum chemistry calculations toward functional designs of bio/nano materials2018
- Author(s)
  Yuriko Aoki, Wataru Mizukami, Ikuko Okawa, Yuuichi Orimoto
- Organizer
  第一回　九州大学女性研究者ダイバーシティーシンポジウム、福岡
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] 多階層Elongation構造最適化法によるDNAバルジ／ミスマッチ認識分子の効率探索と理論設計2018
- Author(s)
  折本裕一，Pomogaeva Anna, 矢野綾香，中谷和彦，青木百合子
- Organizer
  第12回分子科学討論会、福岡
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] リパーゼのエナンチオ選択性の発現に関する量子化学的反応機構解析2018
- Author(s)
  汐見彩花，折本裕一，青木百合子
- Organizer
  第12回分子科学討論会、福岡
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] Development of efficient elongation method toward locally perturbed aperiodic nano/bio systems2018
- Author(s)
  Yuriko Aoki, Anna Pomogaeva, Yuuichi Orimoto
- Organizer
  7th JCS SYMPOSIUM, PRAGUE (Czech Republic)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] メタロセン触媒重合の構造制御機構の解明と超効率的計算手法によるポリマー特性の解析2017
- Author(s)
  白根聡、折本裕一、青木百合子
- Organizer
  第11回分子科学討論会、仙台
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] Elongation法による生体高分子の効率的構造最適化および反応解析法2017
- Author(s)
  青木百合子、水上渉、伊藤正浩、折本裕一
- Organizer
  第11回分子科学討論会、仙台
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] Computational design of DNAs: property control via elongation method2017
- Author(s)
  Yuuichi Orimoto and Yuriko Aoki
- Organizer
  The 44th International Symposium on Nucleic Acids Chemistry (ISNAC2017), Tokyo
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] Selectivity of olefin polymerization with metallocene catalyst and the effects of producted polymers on its mechanism2017
- Author(s)
  Satoru Shirane, Yuuichi Orimoto and Yuriko Aoki
- Organizer
  The 19th Cross Straits Symposium on Energy and Environmental Science and Technology (CSS-EEST19), Fukuoka
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] 生体分子の反応機構解明と機能設計を目指した量子化学的手法開発とその応用2017
- Author(s)
  折本裕一、汐見彩花、青木百合子
- Organizer
  第11回分子科学討論会、仙台
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] 生体分子の反応機構解明と機能設計を目指した量子化学的手法開発とその応用2017
- Author(s)
  折本裕一、汐見彩花、青木百合子
- Organizer
  第11回分子科学討論会、仙台
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] Selectivity of olefin polymerization with metallocene catalyst and the effects of producted polymers on its mechanism2017
- Author(s)
  Satoru Shirane, Yuuichi Orimoto and Yuriko Aoki
- Organizer
  The 19th Cross Straits Symposium on Energy and Environmental Science and Technology (CSS-EEST19), Fukuoka
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] Elongation法による生体高分子の効率的構造最適化および反応解析法2017
- Author(s)
  青木百合子、水上渉、伊藤正浩、折本裕一
- Organizer
  第11回分子科学討論会、仙台
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] Computational design of DNAs: property control via elongation method2017
- Author(s)
  Yuuichi Orimoto and Yuriko Aoki
- Organizer
  The 44th International Symposium on Nucleic Acids Chemistry (ISNAC2017), Tokyo
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] メタロセン触媒重合の構造制御機構の解明と超効率的計算手法によるポリマー特性の解析2017
- Author(s)
  白根聡、折本裕一、青木百合子
- Organizer
  第11回分子科学討論会、仙台
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] Theoretical approach to the property and reaction design of DNA/proteins by through-space/bond interaction analysis and elongation method2016
- Author(s)
  Yuuichi Orimoto and Yuriko Aoki
- Organizer
  The 43th International Symposium on Nucleic Acids Chemistry (ISNAC2016)
- Place of Presentation
  Kumamoto(JAPAN)、熊本大学工学部百周年記念館
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] Theoretical approach to the property and reaction design of DNA/proteins by through-space/bond interaction analysis and elongation method2016
- Author(s)
  Yuuichi Orimoto and Yuriko Aoki
- Organizer
  The 43th International Symposium on Nucleic Acids Chemistry (ISNAC2016)
- Place of Presentation
  Kumamoto(JAPAN)、熊本大学工学部百周年記念館
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] 酵素反応機構解明のための軌道相互作用解析法の開発と応用2016
- Author(s)
  折本裕一、青木百合子
- Organizer
  第10回分子科学討論会
- Place of Presentation
  神戸、神戸ファッションマート
- Data Source
  KAKENHI-PROJECT-16K08321
[Presentation] 酵素反応機構解明のための軌道相互作用解析法の開発と応用2016
- Author(s)
  折本裕一、青木百合子
- Organizer
  第10回分子科学討論会
- Place of Presentation
  神戸、神戸ファッションマート
- Data Source
  KAKENHI-PROJECT-15KT0146
[Presentation] 機能性人工核酸の理論的分子設計～導電性・強磁性・非線形光学特性～2015
- Author(s)
  折本裕一、青木百合子
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東京（東京工業大学　大岡山キャンパス）
- Year and Date
  2015-09-19
- Data Source
  KAKENHI-PROJECT-25810103
[Presentation] Highly efficient electronic structure calculations of biomaterials for their functional design2015
- Author(s)
  Yuuichi Orimoto and Yuriko Aoki
- Organizer
  2015 International Symposium for Advanced Materials Research (ISAMR 2015)
- Place of Presentation
  Sun Moon Lake (Taiwan): Sun Moon Lake Teachers' Hostel
- Year and Date
  2015-08-19
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-25810103
[Presentation] Computational functional design of artificial DNAs: application of elongation method and through-space /bond interaction analysis2015
- Author(s)
  Yuuichi Orimoto and Yuriko Aoki
- Organizer
  The 42th International Symposium on Nucleic Acids Chemistry (ISNAC2015)
- Place of Presentation
  Himeji(JAPAN): I-messae hall
- Year and Date
  2015-09-23
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-25810103
[Presentation] 超効率的電子状態計算と軌道間相互作用解析による人工DNAの理論的機能設計2014
- Author(s)
  折本裕一、河村祐希、Liu Kai、青木百合子
- Organizer
  第8回分子科学討論会
- Place of Presentation
  広島大学　東広島キャンパス
- Year and Date
  2014-09-22
- Data Source
  KAKENHI-PROJECT-25810103
[Presentation] π電子集積体としての天然・人工DNAの超効率的O(N)電子状態計算とその特性解析2014
- Author(s)
  折本裕一、河村祐希、Kai Liu、青木百合子
- Organizer
  第63回高分子討論会
- Place of Presentation
  長崎大学　文教キャンパス
- Year and Date
  2014-09-25
- Data Source
  KAKENHI-PROJECT-25810103
[Presentation] Highly effcient O(N) calculations of natural and artificial DNAs by elongation method2013
- Author(s)
  Y. Orimoto, L. Kai, and Y. Aoki
- Organizer
  第７回分子科学討論会
- Place of Presentation
  京都テルサ（京都府民総合交流プラザ）
- Data Source
  KAKENHI-PROJECT-25810103
[Presentation] Functional design of natural and artificial nucleic acids via ab initio order-N elongation method: computational approaches2013
- Author(s)
  Yuuichi Orimoto, Liu Kai, and Yuriko Aoki
- Organizer
  The 40th International Symposium on Nucleic Acids Chemistry (ISNAC2013)
- Place of Presentation
  Kanagawa University
- Data Source
  KAKENHI-PROJECT-25810103

1. 青木百合子 (10211690)

# of Collaborated Projects: 1 results

# of Collaborated Products: 7 results
2. 仲一成 (30314727)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
3. 今村詮 (70076991)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. 茂木孝一 (30304835)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. HUANG Xiao

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
6. 東野誠

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Orimoto Yuuichi 折本 裕一

折本 裕一 オリモト ユウイチ

ORIMOTO YUUICHI 折本 裕一

Research Projects

Research Products

Co-Researchers

高精度分子機能設計のための軌道相互作用解析－機械学習連携手法の開発Principal Investigator

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Orbital interaction based binding energy analysis for designing molecular targeted drugsPrincipal Investigator

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Quantum chemistry method to analyze important orbital interactions in enzymatic reactions for controlling their reaction pathPrincipal Investigator

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Efficient functional design of artificial DNA using order-N elongation methodPrincipal Investigator

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溶液中タンパク質におけるtrough-bond電子移動経路の定量的評価方法の構築

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[Book] “Quantum chemical approach for organic ferromagnetic material design”, SPRINGER BRIEFS IN MOLECULAR SCIENCE, ELECTRICAL AND MAGNETIC PROPERTIES OF ATOMS, MOLECULES, AND CLUSTERS2017

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[Book] “Quantum chemical approach for organic ferromagnetic material design”, SPRINGER BRIEFS IN MOLECULAR SCIENCE, ELECTRICAL AND MAGNETIC PROPERTIES OF ATOMS, MOLECULES, AND CLUSTERS2017

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[Journal Article] Theoretical design of durable and strong polycarbonates against photodegradation2024

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[Journal Article] Multiscale investigation for CO2 capture using membrane with AEEA: Significance of fluid flow and AEEA content to CO2 permeance2023

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[Journal Article] Fast and Accurate Calculation of the UV?Vis Spectrum with the Modified Local Excitation Approximation2023

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[Journal Article] Effects of fluid flow on the rate limiting for CO2 capture by an AEEA containing membrane2023

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[Journal Article] Why does 2-(2-aminoethylamino)ethanol have superior CO<sub>2</sub> separation performance to monoethanolamine? A computational study2022

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[Journal Article] Local electronic structure analysis by <i>ab initio</i> elongation method: A benchmark using DNA block polymers2022

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[Journal Article] Computational approach for investigating the mechanism of carbon dioxide interaction by 2-(2-aminoethylamino)ethanol: A significant role of water molecule2021

Author(s)

Orimoto Yuuichi 折本裕一

折本裕一オリモトユウイチ

ORIMOTO YUUICHI 折本裕一