Imamura Yutaka 今村穣

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IMAMURA Yutaka 今村穣

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Researcher Number	60454063
Other IDs
Affiliation (Current)	2025: 横浜市立大学, 生命ナノシステム科学研究科(八景キャンパス), 客員教授
Affiliation (based on the past Project Information) *help	2023: 横浜市立大学, 生命ナノシステム科学研究科(八景キャンパス), 客員教授 2020 – 2022: 東京都立大学, 理学研究科, 客員教授 2018 – 2019: 首都大学東京, 理学研究科, 客員教授 2017: 首都大学東京, 理工学研究科, 特任教授 2015: 首都大学東京, 理工学研究科, 教授 … More 2013 – 2014: 独立行政法人理化学研究所, 計算科学研究機構, 研究員 2012: 早稲田大学, 理工学術院, 講師 2007 – 2009: Waseda University, 理工学術院, 助教 Less
Review Section/Research Field	Principal Investigator Science and Engineering / Physical chemistry / Basic Section 32010:Fundamental physical chemistry-related Except Principal Investigator Science and Engineering
Keywords	Principal Investigator 分子自動生成 / 密度汎関数理論 / 内殻励起 / 材料自動探索 / インフォマティクス / 有機薄膜太陽電池 / 逆問題 / データ科学 / MOF / 計算科学 … More / CPLスペクトル / 多光子過程 / 内殻イオン化 / X線自由電子レーザー / 時間発展 / エネルギー分割 / 高速化 / CVR-B3LYP … More Except Principal Investigator NOMO法 / 電子状態理論計算 / AIMD法 / 量子ダイナミックス / 高精度化 / 高速化 / 量子効果 / 核・電子軌道理論 / 凍結軌道解析 / 局所応答分散力法 / エネルギー密度解析 / 分割統治電子相関法 / 非経験的分子動力学法 / 電子軌道理論 / 核 Less

Computational study on development of automatic molecular search methdology and application to next-generation solar cellsPrincipal Investigator
- Principal Investigator
  
  Imamura Yutaka
- Project Period (FY)
  2019 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Yokohama City University
  Tokyo Metropolitan University
第一原理計算・データ科学が主導する高次機能非対称配位空間の設計Principal Investigator
- Principal Investigator
  
  今村穣
- Project Period (FY)
  2017 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Tokyo Metropolitan University
次世代密度汎関数理論を用いた物質デザインシステムの構築Principal Investigator
- Principal Investigator
  
  今村穣
- Project Period (FY)
  2013 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  The Institute of Physical and Chemical Research
Theoretical study on new science by X-ray free-electron laser (XFEL)Principal Investigator
- Principal Investigator
  
  Imamura Yutaka
- Project Period (FY)
  2012 – 2015
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Tokyo Metropolitan University
  The Institute of Physical and Chemical Research
  Waseda University
Multi time scale simulation on chemical reactions by core excitationsPrincipal Investigator
- Principal Investigator
  
  IMAMURA Yutaka
- Project Period (FY)
  2007 – 2008
- Research Category
  
  Grant-in-Aid for Young Scientists (Start-up)
- Research Field
  
  Physical chemistry
- Research Institution
  Waseda University
Development of accelerated quantum dynamics theory
- Principal Investigator
  
  NAKAI Hiromi
- Project Period (FY)
  2006 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Waseda University

[Book] エネルギー密度解析による表面モデルの検証および触媒作用の解明2008
- Author(s)
  中井浩巳, 菊池那明, 今村穣
- Total Pages
  601
- Publisher
  触媒
- Data Source
  KAKENHI-PROJECT-19850027
[Book] エネルギー密度解析による表面モデルの検証および触媒作用の解明 (触媒, 50 (7),601?607)2008
- Author(s)
  中井浩巳, 菊池那明, 今村穣
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] De novo generation of optically active small organic molecules using Monte Carlo tree search combined with recurrent neural network2021
- Author(s)
  Motomichi Tashiro Yutaka Imamura Michio Katouda
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 42 Issue: 3 Pages: 136143-136143
- DOI
  10.1002/jcc.26441
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05390, KAKENHI-PROJECT-19K05443, KAKENHI-PROJECT-16K05307
[Journal Article] Computational Study on the Search for Non-Fullerene Acceptors, Examination of Interface Geometry, and Investigation of Electron Transfer2019
- Author(s)
  Imamura Yutaka、Suganuma Marina、Hada Masahiko
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 123 Issue: 29 Pages: 17678-17685
- DOI
  10.1021/acs.jpcc.9b02933
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05390, KAKENHI-PROJECT-19K22171, KAKENHI-PROJECT-17H03011
[Journal Article] Alternative materials for perovskite solar cells from materials informatics2019
- Author(s)
  Kanno Shohei、Imamura Yutaka、Hada Masahiko
- Journal Title
  
  Physical Review Materials
  
  Volume: 3 Issue: 7 Pages: 075403-075403
- DOI
  10.1103/physrevmaterials.3.075403
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05390, KAKENHI-PROJECT-19K22171, KAKENHI-PROJECT-17H03011, KAKENHI-PROJECT-18J12426
[Journal Article] Functionalization of Endohedral Metallofullerenes toward Improving Barrier Height for the Relaxation of Magnetization for Dy2@C80-X (X=-CF3, C3N3Ph2)2019
- Author(s)
  Archana Velloth, Yutaka Imamura, and Masahiko Hada
- Journal Title
  
  Inorg. Chem.
  
  Volume: 58 Issue: 2 Pages: 1208-1215
- DOI
  10.1021/acs.inorgchem.8b02652
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-17H05380, KAKENHI-PROJECT-19K22171, KAKENHI-PROJECT-17H03011
[Journal Article] Extrapolation of polymer gap by combining cluster and periodic boundary condition calculations with Hueckel theory2018
- Author(s)
  Imamura Yutaka、Tashiro Motomichi、Katouda Michio、Hada Masahiko
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 707 Pages: 44-48
- DOI
  10.1016/j.cplett.2018.07.023
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05307, KAKENHI-PUBLICLY-17H05169, KAKENHI-PUBLICLY-17H05380, KAKENHI-PROJECT-17H03011
[Journal Article] Selective Formation of End-on Orientation between Polythiophene and Fullerene Mediated by Coordination Nanospaces2018
- Author(s)
  Kitao Takashi, Sasaki Yotaro, Kitagawa Susumu, Imamura Yutaka, Tsujimoto Masahiko, Seki Shu, and Uemura Takashi
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 122 Issue: 42 Pages: 24182-24189
- DOI
  10.1021/acs.jpcc.8b08120
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-17H05380, KAKENHI-PLANNED-26102011
[Journal Article] Theoretical study on naphthobischalcogenadiazole conjugated polymer systems and C61 derivative as organic photovoltaic semiconductors2018
- Author(s)
  akehiro Fujita; Toru Matsui; Masato Sumita; Yutaka Imamura; Kenji Morihashi
- Journal Title
  
  Chem. Phys. Lett.
  
  Volume: 693 Pages: 188-193
- DOI
  10.1016/j.cplett.2018.01.021
- NAID
  120007134413
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-17H05380, KAKENHI-PROJECT-17H03034
[Journal Article] Anomalous Dielectric Behavior of a Pb/Sn Perovskite: Effect of Trapped Charges on Complex Photoconductivity2018
- Author(s)
  Kento Yamada, Ryosuke Nishikubo, Hikaru Oga, Yuhei Ogomi, Shuzi Hayase, Shouhei Kanno, Yutaka Imamura, Masahiko Hada, and Akinori Saeki
- Journal Title
  
  ACS Photonics
  
  Volume: 5 Issue: 8 Pages: 3189-3197
- DOI
  10.1021/acsphotonics.8b00422
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-17H05380, KAKENHI-PROJECT-16H02285, KAKENHI-PROJECT-17H03011, KAKENHI-PROJECT-18J12426, KAKENHI-PROJECT-18J20108
[Journal Article] First-Principles Calculations of the Rotational Motion and Hydrogen Bond Capability of Large Organic Cations in Hybrid Perovskites2018
- Author(s)
  Shohei Kanno, Yutaka Imamura, and Masahiko Hada
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 122 Issue: 28 Pages: 15966-15972
- DOI
  10.1021/acs.jpcc.8b05570
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-17H05380, KAKENHI-PROJECT-17H03011, KAKENHI-PROJECT-18J12426
[Journal Article] Inversion of Optical Activity in the Synthesis of Mercury Sulfide Nanoparticles: Role of Ligand Coordination2018
- Author(s)
  Kuno Jumpei、Imamura Yutaka、Katouda Michio、Tashiro Motomichi、Kawai Tsuyoshi、Nakashima Takuya
- Journal Title
  
  Angewandte Chemie International Edition
  
  Volume: 57 Issue: 37 Pages: 12022-12026
- DOI
  10.1002/anie.201807191
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05307, KAKENHI-PLANNED-16H06522, KAKENHI-PUBLICLY-17H05380, KAKENHI-PLANNED-26107006
[Journal Article] Theoretical Study on Rotational Controllability of Organic Cations in Organic-Inorganic Hybrid Perovskites: Hydrogen Bonds and Halogen Substitution2017
- Author(s)
  Shohei Kanno; Yutaka Imamura; Masahiko Hada
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 121 Issue: 47 Pages: 26188-26195
- DOI
  10.1021/acs.jpcc.7b07721
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-17H05380, KAKENHI-PROJECT-17H03011
[Journal Article] Rotational Energy Barriers and Relaxation Times of the Organic Cation in Cubic Methylammonium Lead/Tin Halide Perovskites from First Principles2017
- Author(s)
  Shohei Kanno; Yutaka Imamura; Akinori Saeki; Masahiko Hada
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 121 Issue: 26 Pages: 14051-14059
- DOI
  10.1021/acs.jpcc.7b04589
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-17H05380, KAKENHI-PROJECT-16H02285, KAKENHI-PROJECT-15K13816, KAKENHI-PROJECT-17H03011
[Journal Article] From Linear to Foldamer and Assembly: Hierarchical Transformation of a Coplanar Conjugated Polymer into a Microsphere2017
- Author(s)
  Kushida Soh、Oki Osamu、Saito Hitoshi、Kuwabara Junpei、Kanbara Takaki、Tashiro Motomichi、Katouda Michio、Imamura Yutaka、Yamamoto Yohei
- Journal Title
  
  Journal of Physical Chemistry Letters
  
  Volume: 8 Issue: 18 Pages: 4580-4586
- DOI
  10.1021/acs.jpclett.7b02102
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05307, KAKENHI-PROJECT-15KK0182, KAKENHI-PUBLICLY-16H00939, KAKENHI-PUBLICLY-17H05141, KAKENHI-PUBLICLY-17H05142, KAKENHI-PUBLICLY-17H05169, KAKENHI-PUBLICLY-17H05380, KAKENHI-PROJECT-16H02081
[Journal Article] Theoretical Insights into the Electronic Structures and Stability of Dimetallofullerenes M2@Ih-C802017
- Author(s)
  Archana Velloth; Yutaka Imamura; Takeshi Kodama; Masahiko Hada
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 121 Issue: 33 Pages: 18169-18177
- DOI
  10.1021/acs.jpcc.7b03533
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-17H05380, KAKENHI-PROJECT-15K05481
[Journal Article] Quantum Chemical Study on Endohedral Heteronuclear Dimetallofullerene M1M2@Ih-C80 Toward Molecular Design2017
- Author(s)
  Archana Velloth; Yutaka Imamura; Takeshi Kodama; Masahiko Hada
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 121 Issue: 49 Pages: 27700-27708
- DOI
  10.1021/acs.jpcc.7b08302
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-17H05380, KAKENHI-PROJECT-15K05481, KAKENHI-PROJECT-17H03011
[Journal Article] Automatic High-Throughput Screening Scheme for Organic Photovoltaics: Estimating the Orbital Energies of Polymers from Oligomers and Evaluating the Photovoltaic Characteristics2017
- Author(s)
  Imamura Yutaka、Tashiro Motomichi、Katouda Michio、Hada Masahiko
- Journal Title
  
  Journal of Physical Chemistry C
  
  Volume: 121 Issue: 51 Pages: 28275-28286
- DOI
  10.1021/acs.jpcc.7b08446
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05307, KAKENHI-PROJECT-15K17816, KAKENHI-PUBLICLY-16H00939, KAKENHI-PUBLICLY-17H05169, KAKENHI-PUBLICLY-17H05380, KAKENHI-PROJECT-17H03011
[Journal Article] Theoretical Study on Spin-Forbidden Transitions of Osmium Complexes by Two-component Relativistic Time-dependent Density Functional Theory2016
- Author(s)
  Yutaka Imamura, Muneaki Kamiya, and Takahito Nakajima
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 648 Pages: 60-65
- DOI
  10.1016/j.cplett.2016.01.018
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550034
[Journal Article] Correlating Magnetic Exchange in Dinuclear Bis(phenolate)-bridged Complexes: A Computational Perspective2016
- Author(s)
  Archana Velloth, Yutaka Imamura, Hiroshi Sakiyama, and Masahiko Hada
- Journal Title
  
  Bulletin of the chemical society of Japan
  
  Volume: 0 Pages: 0-0
- NAID
  130005157275
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550034
[Journal Article] Analyses on Thiophene-Based Donor?Acceptor Semiconducting Polymers toward Designing Optical and Conductive Properties: A Theoretical Perspective2016
- Author(s)
  Toru Matsui, Yutaka Imamura, Itaru Osaka, Kazuo Takimiya, and Takahito Nakajima
- Journal Title
  
  Journal of Physical Chemistry C
  
  Volume: 0 Pages: 0-0
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550034
[Journal Article] Local Response Dispersion Method in Periodic Systems: Implementation and Assessment2015
- Author(s)
  Yasuhiro Ikabata, Yusuke Tsukamoto, Yutaka Imamura, Hiromi Nakai
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 36 Issue: 5 Pages: 303-311
- DOI
  10.1002/jcc.23807
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550034, KAKENHI-PUBLICLY-25104723, KAKENHI-PROJECT-26248009
[Journal Article] Linearity Condition for Orbital Energies in Density Functional Theory(V): Extension to Excited State Calculations2015
- Author(s)
  Yutaka Imamura, Kensei Suzuki, Takeshi Iizuka, Hiromi Nakai
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 618 Pages: 30-36
- DOI
  10.1016/j.cplett.2014.10.065
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550034, KAKENHI-PUBLICLY-25104723, KAKENHI-PROJECT-26248009
[Journal Article] Two-Component Relativistic Time-Dependent Density Functional Theory Study on Spin-Forbidden Transitions for Metal Polypyridyl Complexes2015
- Author(s)
  Yutaka Imamura, Muneaki Kamiya, and Takahito Nakajima
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 635 Pages: 30-36
- DOI
  10.1016/j.cplett.2015.06.057
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550034
[Journal Article] Linearity condition for orbital energies in density functional theory (IV): Determination of range-determining parameter2013
- Author(s)
  Yutaka Imamura, Rie Kobayashi, Hiromi Nakai
- Journal Title
  
  INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
  
  Volume: 113 Pages: 245-251
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550034
[Journal Article] Kinetic Energy Decomposition Scheme Based on Information Theory2013
- Author(s)
  Yutaka Imamura, Jun Suzuki, Hiromi Nakai
- Journal Title
  
  JOURNAL OF COMPUTATIONAL CHEMISTRY
  
  Volume: 34 Pages: 2787-2795
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550034
[Journal Article] Kinetic Energy Decomposition Scheme Based on Information Theory2013
- Author(s)
  Yutaka Imamura, Jun Suzuki, Hiromi Nakai
- Journal Title
  
  JOURNAL OF COMPUTATIONAL CHEMISTRY
  
  Volume: 34 Pages: 2787-2795
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-25104723
[Journal Article] Theoretical study on valence excitations of multiply ionized states for envelope measurement of x-ray free-electron-laser pulses2013
- Author(s)
  Yutaka Imamura, Takaki Hatsui
- Journal Title
  
  PHYSICAL REVIEW A
  
  Volume: 87 Pages: 43413-43413
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-25104723
[Journal Article] Theoretical study on valence excitations of multiply ionized states for envelope measurement of x-ray free-electron-laser pulses2013
- Author(s)
  Yutaka Imamura, Takaki Hatsui
- Journal Title
  
  PHYSICAL REVIEW A
  
  Volume: 87 Pages: 43413-43413
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550034
[Journal Article] Development of the explicitly correlated Gaussian-nuclear orbital plus molecular orbital theory: Incorporation of electron-electron correlation2012
- Author(s)
  Hiroaki Nishizawa,Yutaka Imamura, Yasuhiro Ikabata, Hiromi Nakai
- Journal Title
  
  CHEMICAL PHYSICS LETTERS
  
  Volume: 533 Pages: 100-105
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550034
[Journal Article] Direct alkoxysilylation of alkoxysilanes for the synthesis of explicit alkoxysiloxane oligomers2012
- Author(s)
  Ryutaro Wakabayashi, Misa Tamai, Kazufumi Kawahara, Hiroki Tachibana, Yutaka Imamura, Hiromi Nakai, Kazuyuki Kuroda
- Journal Title
  
  JOURNAL OF ORGANOMETALLIC CHEMISTRY
  
  Volume: 716 Pages: 26-31
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550034
[Journal Article] Extension of energy density analysis to periodic-boundary-condition calculations with plane-wave basis functions2010
- Author(s)
  Y. Imamura, A. Takahashi, T. Okada, T. Ohno, H. Nakai
- Journal Title
  
  Phys. Rev. B 81(11)
  
  Pages: 1151361-7
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Application of real-time time-dependent density functional theory with the CV-B3LYP functional to core excitations2010
- Author(s)
  T.Akama, Y.Imamura, H.Nakai
- Journal Title
  
  Chem.Lett. 39
  
  Pages: 407-409
- NAID
  10027179733
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Application of real-time time-dependent density functional theory with the CV-B3LYP functional to core excitations2010
- Author(s)
  T. Akama, Y. Imamura, H. Nakai
- Journal Title
  
  Chem. Lett. 39(4)
  
  Pages: 407-409
- NAID
  10027179733
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Density functional study for sugar-base correlation of nucleoside cytidine and its fragments2009
- Author(s)
  S. Saha, F. Wang, T, Tsuchimochi, A. Nakata, Y. Imamura, H. Nakai
- Journal Title
  
  Bull. Chem. Soc. Jpn. 82
  
  Pages: 187-795
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Density Functional Study on Core Ionization Spectra of Cytidine and Its Fragments2009
- Author(s)
  A. Thompson, S. Saha, F. Wang, 土持崇嗣, 中田彩子, 今村穣, 中井浩巳
- Journal Title
  
  Bull. Chem. Soc. Jpn. vol.82
  
  Pages: 187-195
- NAID
  10025115726
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850027
[Journal Article] Extension of frozen orbital analysis to the Tamm-Dancoff approximation to time-dependent density functional theory2009
- Author(s)
  Y. Imamura, T. Baba, H. Nakai
- Journal Title
  
  Chem. Lett. 38(6)
  
  Pages: 528-529
- NAID
  10025122558
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Extension of density functional theory to nuclear orbital plus molecular orbital theory: Self-consistent field calculations with the Colle- Salvetti electron-nucleus correlation functional2009
- Author(s)
  Y. Imamura, Y. Tsukamoto, H. Kiryu, H. Nakai
- Journal Title
  
  Bull. Chem. Soc. Jpn. 82(9)
  
  Pages: 1133-1139
- NAID
  10025321710
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Density Functional study on Core Ionization Spectra of Cytidine and Its Fragments2009
- Author(s)
  A. Thompson, S. Saha, F. Wang, T. Tsuchimochi, A. Nakata, Y. Imamura
- Journal Title
  
  Bull. Chem. Soo. Jpn. 82
  
  Pages: 187-195
- NAID
  10025115726
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850027
[Journal Article] Extension of density functional theory to nuclear orbital plus molecular orbital theory : Self-consistent field calculations with the Colle-Salvetti electron-nucleus correlation functional2009
- Author(s)
  Y.Imamura, Y.Tsukamoto, H.Kiryu, H.Nakai
- Journal Title
  
  Bull.Chem.Soc.Jpn. 82
  
  Pages: 1133-1139
- NAID
  10025321710
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Extension of Frozen Orbital Analysis to the Tamm-Dancoff Approximation to Time-Dependent Density Functional Theory2009
- Author(s)
  Y. Imamura, T. Baba, H. Nakai
- Journal Title
  
  Chem. Lett. 38
  
  Pages: 528-528
- NAID
  10025122558
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] One-body energy decomposition schemes revisited : Assessment of Mulliken-, grid-, and conventional energy density analyses2009
- Author(s)
  Y. Kikuchi, Y. Imamura, H. Nakai
- Journal Title
  
  Mt. J. Quant. Chem. 109
  
  Pages: 2464-2473
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] One-body energy decomposition schemes revisited: Assessment of Mulliken-, grid-, and conventional energy density analyses2009
- Author(s)
  Y. Kikuchi, Y. Imamura, H. Nakai
- Journal Title
  
  Int. J. Quant. Chem. 109(11)
  
  Pages: 2464-2473
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Extension of frozen orbital analysis to the Tamm-Dancoff approximation to time-dependent density functional theory2009
- Author(s)
  Y.Imamura, T.Baba, H.Nakai
- Journal Title
  
  Chem.Lett. 38
  
  Pages: 528-529
- NAID
  10025122558
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Natural bond orbital based energy density analysis for correlated methods: Second-order Moller-Plesset perturbation and coupled-cluster singles and doubles2008
- Author(s)
  Y. Imamura, T. Baba, H. Nakai
- Journal Title
  
  Int. J. Quant. Chem. 108(8)
  
  Pages: 1316-1325
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Energy Density Analysis for Second-Order Moller-Plesset Perturbation Theory and Coupled-Cluster Theory with Singles and Doubles : Application to C_2H_4-CH_4 Complexes2008
- Author(s)
  今村穣, 中井浩巳
- Journal Title
  
  J. Comput. Chem. vol.29
  
  Pages: 1555-1563
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850027
[Journal Article] Energy density analysis for second-order Moller-Plesset perturbation theory and coup Ied-cluster theory with singles and doubles : Application to C2H4-CH4 oomplexes2008
- Author(s)
  Y. Imamura, H. Nakai
- Journal Title
  
  J. Comput. Chem. 29
  
  Pages: 1555-1563
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850027
[Journal Article] Colle-Salvetti-Type Correction for Electron-Nucleus Correlation in the Nuclear Orbital Plus Molecular Orbital Theory2008
- Author(s)
  Y.Imamura, H.Kiryu, H.Nakai
- Journal Title
  
  J.Comput.Chem. 29
  
  Pages: 735-740
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850027
[Journal Article] Application of the Sakurai-Sugiura projection method to core-excited-state calculation by time-dependent density functional theory2008
- Author(s)
  T. Tsuchimochi, M. Kobayashi, A. Nakata, Y. Imamura, H. Nakai
- Journal Title
  
  J. Comput. Chem. 29
  
  Pages: 2311-2316
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Application of the Sakurai-Sugiura Projection Method to Core-Excited-State Calculation by Time-Dependent Density Functional Theory2008
- Author(s)
  土持崇嗣, 小林正人, 中田彩子, 今村穣, 中井浩巳
- Journal Title
  
  J. Comput. Chem. vol.29
  
  Pages: 2311-2316
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850027
[Journal Article] Application of the Sakurai-Sugiura projection method to core-excited-state calculation by time-dependent density functional theory2008
- Author(s)
  T. Tsuchimochi, M. Kobayashi, A. Nakata, Y. Imamura, H. Nakai
- Journal Title
  
  J. Comput. Chem. 29(14)
  
  Pages: 2311-2316
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Natural Bond Orbital Based Energy Density Analysis for Correlated Methods: Second-Order Moller-Plesset and Coupled-Cluster Singles and Doubles2008
- Author(s)
  今村穣, 馬場健, 中井浩巳
- Journal Title
  
  Int. J. Quant. Chem. vol.108
  
  Pages: 1316-1325
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850027
[Journal Article] Analysis on excitation of molecules with I_h symmetry: Frozen orbital analysis and general rules2008
- Author(s)
  T. Baba, Y. Imamura, M. Okamoto, H. Nakai
- Journal Title
  
  Chem. Lett. 37
  
  Pages: 322-323
- NAID
  10021078641
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Analysis on Excitations of Molecules with lh symmetry: Frozen Orbital Analysis and General Rules2008
- Author(s)
  T.Baba, Y.Imamura, M.Okamoto, H.Nakai
- Journal Title
  
  Chem.Lett. 37
  
  Pages: 322-323
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850027
[Journal Article] Energy density analysis for second-order Moller-Plesset perturbation theory and coupled cluster theory with singles and doubles: Applications to C2H4-CH4 complexes2008
- Author(s)
  Y. Imamura, H. Nakai
- Journal Title
  
  J. Comput. Chem. 29(10)
  
  Pages: 1555-1563
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Natural Bond Orbital Based Energy Density Analysis for Cerrelated Methods: Second-Order Moller-Plesset and Coupled-Cluster Singles and Doubles2008
- Author(s)
  Y.Imamura, T.Baba, H.Nakai
- Journal Title
  
  Int.J.Quant.Chem. 108
  
  Pages: 1316-1325
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850027
[Journal Article] Application of the Sakurai-Sugiura projection method to core-excited-state calculation by time-dependent density funotionaI theory2008
- Author(s)
  T. Tsuchimoch, M. Kobayashi, A. Nakata, Y. Imamura, H. Nakai
- Journal Title
  
  J. Comput. Chem 29
  
  Pages: 2311-2316
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850027
[Journal Article] Colle-Salvetti-type correction for electronnucleus correlation in the nuclear orbital plus molecular orbital theory2008
- Author(s)
  Y. Imamura, H. Kiryu, H. Nakai
- Journal Title
  
  Comput. Chem. 29(5)
  
  Pages: 735-740
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Analysis on excitations of molecules with Ih symmetry: Frozen orbital analysis and general rules2008
- Author(s)
  T. Baba, Y. Imamura, M. Okamoto, H. Nakai
- Journal Title
  
  Chem. Lett. 37(3)
  
  Pages: 322-323
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Description of Core Excitations by Time-Dependent Density Functional Theory with LDA,GGA,Meta-GGA,and Hybrid Functionals2007
- Author(s)
  Y.Imamura, T.Otsuka, H.Nakai
- Journal Title
  
  J.Comput.Chem. 28
  
  Pages: 2067-2074
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850027
[Journal Article] Isotope Effect in Dihydrogen-Bonded Systems: Application of Analytical Energy Gradient Method in the Nuclear Orbital Plus Molecular Orbital Theory2007
- Author(s)
  H.Nakai, Y.Ikabata, Y.Tsukamoto, Y.Imamura, et. al.
- Journal Title
  
  Mol.Phys. 105
  
  Pages: 2649-2657
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850027
[Journal Article] Grid-based energy density analysis: implementation and assessment2007
- Author(s)
  Y. Imamura, A. Takahashi, H. Nakai
- Journal Title
  
  J. Chem. Phys. 126(3)
  
  Pages: 341031-10
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Alternative linear-scaling methodology for the second-order Moller-Plesset perturbation calculation based on the divide-and-conquer method2007
- Author(s)
  M. Kobayashi, Y. Imamura, H. Nakai
- Journal Title
  
  J. Chem. Phys. 127
  
  Pages: 0741031-8
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Grid-based energy density analysis : Implementation and assessment2007
- Author(s)
  Y. Imamura, A. Takahashi, and H. Nakai
- Journal Title
  
  J. Chem. Phys. 126(3)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Extension of the core-valence-Rydberg B3LYP functional to core-excited-state calculations of third-row atoms2007
- Author(s)
  A. Nakata, Y. Imamura, H. Nakai
- Journal Title
  
  J. Chem. Theory Comp. 3(4)
  
  Pages: 1295-1305
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Alternative linear-scaling methodology for the second-order Moller-Plesset perturbation calculation based on the divide-and-conquer method2007
- Author(s)
  M. Kobayashi, Y. Imamura, H. Nakai
- Journal Title
  
  J. Chem. Phys. 127(7)
  
  Pages: 741031-8
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Analysis of Self-Interaction Correction for Describing Core Excited States2007
- Author(s)
  Y.Imamura, H.Nakai
- Journal Title
  
  Int. J. Quant. Chem. 107(1)
  
  Pages: 23-29
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Isotope effect in dihydrogen-bonded systems: Application of the analytical energy gradient method in the nuclear orbital plus molecular orbital theory2007
- Author(s)
  H. Nakai, Y. Ikabata, Y. Tsukamoto, Y. Imamura, K. Miyamoto, M. Hoshino
- Journal Title
  
  Mol. Phys. 105
  
  Pages: 2649-2657
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Extension of the core-valence-Rydberg B3LYP functional to core-excited-state calculations of third-row atoms2007
- Author(s)
  A. Nakata, Y. Imamura, H. Nakai
- Journal Title
  
  J. Chem. Theory Comput. 3
  
  Pages: 1295-1305
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Analysis of self-interaction correction for describing core excited states2007
- Author(s)
  Y. Imamura, H. Nakai
- Journal Title
  
  Int. J. Quant. Chem. 107(1)
  
  Pages: 23-29
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Alternative linear-scaling methodology for the second-order Moller-Plesset perturbation calculation based on the divide-and-conquer method2007
- Author(s)
  M. Kobayashi, Y. Imamura, and H. Nakai
- Journal Title
  
  J. Chem. Phys. 127(7)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Description of core excitations by time-dependent density functional theory with local density approximation, generalized gradient approximation, meta-generalized gradient approximation, and hybrid functionals2007
- Author(s)
  Y. Imamura, T. Otsuka, H. Nakai
- Journal Title
  
  J. Comput. Chem. 28(12)
  
  Pages: 2067-2074
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Isotope effect in dihydrogen-bonded systems: Application of analytical energy gradient method in the nuclear orbital plus molecular orbital theory2007
- Author(s)
  H. Nakai, Y. Ikabata, Y. Tsukamoto, Y. Imamura, K. Miyamoto, M. Hoshino
- Journal Title
  
  Mol. Phys. 19-22
  
  Pages: 2649-2657
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Extension of the Core-Valence-Rydberg B3LYP Functional to Core-Excited-State Calcuations of Third-Row Atom2007
- Author(s)
  A.Nakata, Y.Imamura, H.Nakai
- Journal Title
  
  J.Chem.Theory Comput. 3
  
  Pages: 1295-1305
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850027
[Journal Article] Alternlative Linear-Scaling Methodology for the Second-Order Moller-Plesset Perturbation Calculation Based on the Divide-and-Conquer Method2007
- Author(s)
  M.Kobayashi, Y. Imamura, H.Nakai
- Journal Title
  
  J.Chem.Phys. 127
  
  Pages: 74103-74103
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850027
[Journal Article] Grid-based energy density analysis : Implementation and assessment2007
- Author(s)
  Y.Imamura, A.Takahashi, H.Nakai
- Journal Title
  
  J. Chem. Phys. 126
  
  Pages: 0341031-10
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Time-dependent density functional theory calculations for core excited states: Assessment of standard exchange-correlation functionals and development of a novel hybrid functional2006
- Author(s)
  A. Nakata, Y. Imamura, T. Otsuka, H. Nakai
- Journal Title
  
  J. Chem. Phys. 124(9)
  
  Pages: 941051-9
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Hybrid exchange-correlation functional for core, valence, and Rydberg excitations : core-valence-Rydberg B3LYP2006
- Author(s)
  A. Nakata, Y. Imamura, and H. Nakai
- Journal Title
  
  J. Chem. Phys. 125(6)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] "Hybrid exchange-correlation functional for core, valence, and Rydberg excitations2006
- Author(s)
  A. Nakata, Y. Imamura, H. Nakai
- Journal Title
  
  J. Chem. Phys. 125(6)
  
  Pages: 641091-9
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Hybrid exchange-correlation functional for core, valence, and Rydberg excitations : Core-valence-Rydberg B3LYP2006
- Author(s)
  A.Nakata, Y.Imamura, H.Nakai
- Journal Title
  
  J. Chem. Phys. 125(6)
  
  Pages: 0641091-10
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] One-body Energy Decomposition Schemes Revisited : Assessment of Mulliken-, Grid-, and Conventional Energy Density Analyses
- Author(s)
  菊地那明, 今村穣, 中井浩巳
- Journal Title
  
  Int. J. Quant. Chem. (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19850027
[Presentation] Novel Perovskite Material Search by Materials Informatics: Application to Water Splitting Photocatalyst and Solar Cell2018
- Author(s)
  Shohei Kanno, Yutaka Imamura, and Masahiko Hada
- Organizer
  International Conference on Emerging Advanced Nanomaterials (ICEAN) 2018
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] 有望な鉛フリーペロブスカイトは存在するか?～マテリアルズインフォマティクスによる回答～2018
- Author(s)
  菅野翔平, 今村穣, 波田雅彦
- Organizer
  第三回フロンティア太陽電池セミナー
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] 非フラーレン系有機薄膜太陽電池材料の理論的探索2018
- Author(s)
  菅沼麻莉奈, 今村穣, 波田雅彦
- Organizer
  第21回理論化学討論会
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] Theoretical Study on Next Generation Solar Cell by Computational Science2018
- Author(s)
  Yutaka.Imamura
- Organizer
  International Conference on Emerging Advanced Nanomaterials (ICEAN) 2018
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] 第一原理計算と機械学習を用いた新規ペロブスカイト太陽電池材料の高効率探索2018
- Author(s)
  菅野翔平, 今村穣, 波田雅彦
- Organizer
  日本化学会第98春季年会(2018)
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] 計算科学を用いた次世代太陽電池材料の研究2018
- Author(s)
  今村穣
- Organizer
  スーパーコンピューターワークショップ2017
- Invited
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] Novel Material Search Scheme by Informatics: Application to Perovskite Solar Cell2018
- Author(s)
  Shohei Kanno, Yutaka Imamura, and Masahiko Hada
- Organizer
  the IAQMS 16-ICQC Satellite Conference on "Computational Chemistry meets Artificial Intelligence"
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] ボウル型トリカルコゲナスを基本π骨格とする共有結合性有機構造体の構造・電子機構の理論的研究2018
- Author(s)
  河東田道夫, 田代基慶, 今村穣
- Organizer
  第21回理論化学討論会
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] Theoretical Study on Electronic Properties of Halogen-passivated Quantum Dot Solar Cells2018
- Author(s)
  Reo Murata, Yutaka Imamura, and Masahiko Hada
- Organizer
  International Conference on Emerging Advanced Nanomaterials (ICEAN) 2018
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] Theoretical Study of Non-Fullerene Organic Photovoltaics: Search for New Acceptors and Interfacial Geometry2018
- Author(s)
  Marina Suganuma, Yutaka Imamura, and Masahiko Hada
- Organizer
  International Conference on Emerging Advanced Nanomaterials (ICEAN) 2018
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] マテリアルズインフォマティクスに基づくペロブスカイト太陽電池材料の大規模探索2018
- Author(s)
  菅野翔平, 今村穣, 波田雅彦
- Organizer
  第79回応用物理学会秋季学術講演会
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] DFT Investigation of Structural and Electronic Properties of Covalent Organic Frameworks Containing Trichalcogenasumanene2018
- Author(s)
  Katouda Michio, Motomichi Tashiro, Yutaka Imamura
- Organizer
  16th International Congress of Quantum Chemistry
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] 機械学習を用いた新規ペロブスカイト太陽電池材料の大規模探索2018
- Author(s)
  菅野翔平, 今村穣, 波田雅彦
- Organizer
  第21回理論化学討論会
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] 有機-無機ペロブスカイトにおける有機カチオンの回転運動の制御可能性に関する理論的考察2017
- Author(s)
  菅野翔平, 今村穣, 波田雅彦
- Organizer
  第78回応用物理学会秋季学術講演会
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] Quantum Chemical Studies on Dye-sensitized and Perovskite Solar Cells2017
- Author(s)
  Shohei Kanno, Yutaka Imamura, Akinori Saeki, Masahiko Hada
- Organizer
  Collaborative Conference on Materials Research (CCMR) 2017
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] Theoretical Study on Spin-forbidden Transition for Dye-Sensitized Solar Cell2017
- Author(s)
  Yutaka Imamura
- Organizer
  International Symposium "Theoretical Design of Materials with Innovative Functions Based on Element Strategy and Relativistic Electronic Theory"
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] Quantum-Chemical Studies on Lanthanide encapsulated metallofullerenes towards designing functional materials2017
- Author(s)
  Velloth Archana, 今村穣, 兒玉健, 波田雅彦
- Organizer
  第11回分子科学討論会2017仙台
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] Theoretical Study on Rotational Controllability of Organic Cations in Hybrid Perovskites2017
- Author(s)
  Shohei Kanno, Yutaka Imamura, Masahiko Hada
- Organizer
  International Symposium "Theoretical Design of Materials with Innovative Functions Based on Element Strategy and Relativistic Electronic Theory"
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] 色素増感型及びペロブスカイト型太陽電池に関する量子化学的研究2017
- Author(s)
  菅野翔平, 今村穣, 佐伯昭紀, 波田雅彦
- Organizer
  第7回CSJ化学フェスタ2017
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] ペロブスカイト太陽電池における有機カチオンの回転と無機骨格の振動に関する理論的解析2017
- Author(s)
  菅野翔平, 今村穣, 佐伯昭紀, 波田雅彦
- Organizer
  第20回理論化学討論会
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] PbS量子ドットにおけるパッシベーションに関する理論的検討2017
- Author(s)
  村田レオ, 今村穣, 波田雅彦
- Organizer
  第20回理論化学討論会
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] Material Design for Organic Photovoltaics using Computational Science2017
- Author(s)
  Yutaka Imamura
- Organizer
  International Symposium on Pure & Applied Chemistry (ISPAC)2017
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] Theoretical study on halogen-passivated quantum dot solar cell2017
- Author(s)
  Reo Murata, Yutaka Imamura, Masahio Hada
- Organizer
  International Symposium "Theoretical Design of Materials with Innovative Functions Based on Element Strategy and Relativistic Electronic Theory"
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] ハイブリッドペロブスカイトの計算化学的研究 :有機カチオンの回転運動障壁とイフォマティクスによる新材料探索2017
- Author(s)
  菅野翔平, 今村穣, 波田雅彦
- Organizer
  第二回フロンティア太陽電池セミナー
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] 次世代有機太陽電池に関する自動材料探索スキーム2017
- Author(s)
  今村穣, 田代基慶, 河東田道夫
- Organizer
  第11回分子科学討論会2017仙台
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] ハロゲン修飾量子ドットの電子特性に関する理論的解析2017
- Author(s)
  村田レオ, 今村穣, 波田雅彦
- Organizer
  第78回応用物理学会秋季学術講演会
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] ハロゲン修飾された量子ドットの電子物性と光電変換機構の検討2017
- Author(s)
  村田レオ, 今村穣, 波田雅彦
- Organizer
  第二回フロンティア太陽電池セミナー
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] 計算科学による有機半導体材料の探索と設計2017
- Author(s)
  今村穣
- Organizer
  第66回高分子討論会 S14.有機半導体の高機能化のための分子デザイン
- Invited
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] 計算科学・データ科学を用いた次世代太陽電池材料の研究アプローチ2017
- Author(s)
  今村穣, 田代基慶, 河東田道夫, 波田雅彦
- Organizer
  日本コンピュータ化学会2017秋季年会
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] 計算科学を用いた有機薄膜太陽電池の界面構造の検討と新規アクセプター材料の自動探索2017
- Author(s)
  菅沼麻莉奈, 今村穣, 波田雅彦
- Organizer
  第二回フロンティア太陽電池セミナー
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] 計算科学による高効率な有機薄膜太陽電池材料の探索と設計2017
- Author(s)
  今村穣, 田代基慶, 河東田道夫, 波田雅彦
- Organizer
  第20回理論化学討論会
- Data Source
  KAKENHI-PUBLICLY-17H05380
[Presentation] Theoretical Study on π Materials for Solar Cells2016
- Author(s)
  Yutaka Imamura
- Organizer
  the Pure and Applied Chemistry International Conference 2016 (PACCON 2016)
- Place of Presentation
  Bangkok (Thailand)
- Year and Date
  2016-02-11
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] Theoretical Study on Organic Materials for Next Generation Solar Cells2015
- Author(s)
  Yutaka Imamura
- Organizer
  6th JCS International Symposium on Theoretical Chemistry
- Place of Presentation
  Bratislava (Slovakia)
- Year and Date
  2015-10-12
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] 次世代有機太陽電池に関する理論的研究2015
- Author(s)
  今村穣, 松井亨, 神谷宗明, 菅野翔平, 尾坂格, 瀧宮和男, 中嶋隆人, 波田雅彦
- Organizer
  第9回分子科学討論会2015
- Place of Presentation
  東京工業大学・東京,
- Year and Date
  2015-09-18
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] 有機薄膜太陽電池に関する理論的研究2015
- Author(s)
  今村穣, 松井亨, 尾坂格, 瀧宮和男, 中嶋隆人
- Organizer
  第76回応用物理学会秋季学術講演会
- Place of Presentation
  名古屋国際会議場・名古屋
- Year and Date
  2015-09-15
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] Theoretical Investigation on Dye Sensitizer Solar Cell: Spin-forbidden Transition2015
- Author(s)
  Yutaka Imamura
- Organizer
  11th International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2015)
- Place of Presentation
  Metropolitan Hotel, Athens, Greece
- Year and Date
  2015-03-20
- Data Source
  KAKENHI-PUBLICLY-25104723
[Presentation] 増感色素のスピン禁制励起に関する理論的研究2015
- Author(s)
  今村穣, 神谷宗明, 中嶋隆人
- Organizer
  2015年電気化学秋季大会
- Place of Presentation
  埼玉工業大学・深谷
- Year and Date
  2015-09-11
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] Theoretical Investigation on Dye Sensitizer Solar Cell: Spin-forbidden Transition2015
- Author(s)
  Yutaka Imamura
- Organizer
  11th International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2015)
- Place of Presentation
  Metropolitan Hotel, Athens, Greece
- Year and Date
  2015-03-20
- Invited
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] NTChemを用いた色素増感太陽電池に関する理論的検討：スピン禁制励起2015
- Author(s)
  今村穣
- Organizer
  第3回 NTChemワークショップ
- Place of Presentation
  理化学研究所計算科学研究機構 (兵庫県神戸市)
- Year and Date
  2015-03-12
- Data Source
  KAKENHI-PUBLICLY-25104723
[Presentation] NTChemを用いた色素増感太陽電池に関する理論的検討：スピン禁制励起2015
- Author(s)
  今村穣
- Organizer
  第3回 NTChemワークショップ
- Place of Presentation
  計算科学研究機構 (兵庫県神戸市)
- Year and Date
  2015-03-12
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] 量子化学計算プログラムの紹介2014
- Author(s)
  今村穣
- Organizer
  元素戦略CREST合同研究会｢物性理論と量子化学の接点～相対論の視点を中心として」
- Place of Presentation
  メープル有馬 (兵庫県神戸市)
- Year and Date
  2014-12-26
- Invited
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] 京を用いた次世代太陽電池の材料設計へ向けて2014
- Author(s)
  今村　穣
- Organizer
  シンポジウム「次世代太陽電池の動向と展望～京を用いた新材料設計に向けて～」
- Place of Presentation
  理化学研究所計算科学研究機構（兵庫県）
- Invited
- Data Source
  KAKENHI-PUBLICLY-25104723
[Presentation] 光機能材料に対する2成分相対論的時間依存密度汎関数理論の応用2014
- Author(s)
  今村穣, 神谷宗明, 中嶋隆人
- Organizer
  第17回理論化学討論会
- Place of Presentation
  名古屋大学 (愛知県名古屋市)
- Year and Date
  2014-05-23
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] Theoretical Study on Spin Forbidden Transition of Solar Cell Sensitizers: Two-component Relativistic Time-dependent Density Functional Theory Study2014
- Author(s)
  Yutaka Imamura, Muneaki Kamiya, Takahito Nakajima
- Organizer
  The 5th AICS international Symposium
- Place of Presentation
  AICS, Kobe, Japan
- Year and Date
  2014-12-08
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] 高効率な色素増感太陽電池材料の設計に向けた理論的研究2014
- Author(s)
  今村穣, 神谷宗明, 中嶋隆人
- Organizer
  第7回分子科学討論会2014広島
- Place of Presentation
  広島大学 (広島県東広島市)
- Year and Date
  2014-09-23
- Data Source
  KAKENHI-PUBLICLY-25104723
[Presentation] Theoretical Study on Solar Cell Sensitizers by Two-component Relativistic Time-dependent Density Functional Theory2014
- Author(s)
  Yutaka Imamura, Muneaki Kamiya, Takahito Nakajima
- Organizer
  the 19th International Workshop on Quantum Systems in Chemistry, Physics and Biology (QSCP-XIX)
- Place of Presentation
  Fullon Hotel, Taipei, Taiwan
- Year and Date
  2014-11-13
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] 光機能材料に対する2成分相対論的時間依存密度汎関数理論の応用2014
- Author(s)
  今村穣, 神谷宗明, 中嶋隆人
- Organizer
  第17回理論化学討論会
- Place of Presentation
  名古屋大学 (愛知県名古屋市)
- Year and Date
  2014-05-23
- Data Source
  KAKENHI-PUBLICLY-25104723
[Presentation] 高効率な色素増感太陽電池材料の設計に向けた理論的研究2014
- Author(s)
  今村穣, 神谷宗明, 中嶋隆人
- Organizer
  第7回分子科学討論会2014広島
- Place of Presentation
  広島大学 (広島県東広島市)
- Year and Date
  2014-09-23
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] Theoretical Study on Solar Cell Sensitizers by Two-component Relativistic Time-dependent Density Functional Theory2014
- Author(s)
  Yutaka Imamura, Muneaki Kamiya, Takahito Nakajima
- Organizer
  the 19th International Workshop on Quantum Systems in Chemistry, Physics and Biology (QSCP-XIX)
- Place of Presentation
  Fullon Hotel, Taipei, Taiwan
- Year and Date
  2014-11-13
- Data Source
  KAKENHI-PUBLICLY-25104723
[Presentation] 京を用いた次世代太陽電池の材料設計へ向けて2014
- Author(s)
  今村　穣
- Organizer
  シンポジウム「次世代太陽電池の動向と展望～京を用いた新材料設計に向けて～」
- Place of Presentation
  理化学研究所計算科学研究機構（兵庫県）
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] Theoretical Study on Spin Forbidden Transition of Solar Cell Sensitizers: Two-component Relativistic Time-dependent Density Functional Theory Study2014
- Author(s)
  Yutaka Imamura, Muneaki Kamiya, Takahito Nakajima
- Organizer
  The 5th AICS international Symposium
- Place of Presentation
  RIKEN AICS, Kobe, Japan
- Year and Date
  2014-12-08
- Data Source
  KAKENHI-PUBLICLY-25104723
[Presentation] 量子化学計算プログラムの紹介2014
- Author(s)
  今村穣
- Organizer
  元素戦略CREST合同研究会｢物性理論と量子化学の接点～相対論の視点を中心として」
- Place of Presentation
  メープル有馬 (兵庫県神戸市)
- Year and Date
  2014-12-26
- Data Source
  KAKENHI-PUBLICLY-25104723
[Presentation] Two-component Relativistic Time-dependent Density Functional Theory: Development and Applications2013
- Author(s)
  Yutaka Imamura, Muneaki Kamiya, Takahito Nakajima
- Organizer
  5th JCS International Symposium on Theoretical Chemistry
- Place of Presentation
  東大寺総合文化センター（奈良県）
- Invited
- Data Source
  KAKENHI-PUBLICLY-25104723
[Presentation] 局所応答分散力法の実装：平面波基底への拡張2013
- Author(s)
  塚本祐介, 五十幡康弘, 今村穣, 中井浩巳
- Organizer
  日本化学会第93春季年会(2013)
- Place of Presentation
  立命館大学・草津
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] Two-component Relativistic Time-dependent Density Functional Theory: Development and Applications2013
- Author(s)
  Yutaka Imamura, Muneaki Kamiya, Takahito Nakajima
- Organizer
  5th JCS International Symposium on Theoretical Chemistry
- Place of Presentation
  東大寺総合文化センター（奈良県）
- Invited
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] 多重内殻イオン化状態の理論的研究：XFELの時間構造測定の実現可能性2012
- Author(s)
  今村穣, 初井宇記
- Organizer
  第15回理論化学討論会
- Place of Presentation
  仙台市福祉プラザ・仙台
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] X線自由電子レーザーの拓く科学：計算科学からのアプローチ2012
- Author(s)
  今村穣
- Organizer
  早稲田大学高等研究所　トップランナーズレクチャーコレクションオフサイエンス
- Place of Presentation
  早稲田大学・東京
- Invited
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] Orbital-free 密度汎関数理論における運動エネルギー汎関数に関する研究2012
- Author(s)
  今村穣, 中井浩巳
- Organizer
  第15回理論化学討論会
- Place of Presentation
  仙台市福祉プラザ・仙台
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] Recent Development Toward Rigorous Exchange-correlation Functionals2012
- Author(s)
  Yutaka Imamura
- Organizer
  China-Japan-Korea tripartite workshops on theoretical and computational chemistry (CJK-WTCC)
- Place of Presentation
  Beijin, China
- Invited
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] 領域分割・スピンスケーリングを用いたRPA相関エネルギーの開発と数値検証2012
- Author(s)
  鈴木健生, 今村穣, 中井浩巳
- Organizer
  第15回理論化学討論会
- Place of Presentation
  仙台市福祉プラザ・仙台
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] Orbital-free 密度汎関数理論における運動エネルギー汎関数に関する研究(2):分子系における数値検証2012
- Author(s)
  今村穣, 中井浩巳
- Organizer
  第6回分子科学討論会2012東京
- Place of Presentation
  東京大学・東京
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] 軌道特定型密度汎関数理論の発展：SCFスキームの提案2012
- Author(s)
  鈴木健生, 飯塚壮, 今村穣, 中井浩巳
- Organizer
  第6回分子科学討論会2012東京
- Place of Presentation
  東京大学・東京
- Data Source
  KAKENHI-PROJECT-24550034
[Presentation] 密度汎関数理論における非整数占有数状態の解析2010
- Author(s)
  小林理恵, 今村穣, 中井浩巳
- Organizer
  日本化学会第90春季年会
- Place of Presentation
  東大阪
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] Theoretical Investigation on Cyclohexene Bromination2010
- Author(s)
  Jun Suzuki, Yutaka Imamura, Hiromi Nakai, Daiki Hirabayashi, Kazuki Nitta, Yoshiki Okada
- Organizer
  4th Waseda G-COE Interbational Symposium-Jointly with MANA, NIMS-Advanced Materials Designed at Nano- and Mesoscales
- Place of Presentation
  Tokyo, Japan
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] シクロヘキセンの臭素化反応に関する理論的研究2010
- Author(s)
  鈴木潤, 今村穣, 中井浩巳, 平林大樹, 新多一毅, 岡田芳樹
- Organizer
  日本化学会第90春季年会
- Place of Presentation
  東大阪
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] Core Excitations by Real-time Propagation Time-dependent Density Functional Theory2010
- Author(s)
  Yutaka Imamura, Tomoko Akama, Hiromi Nakai
- Organizer
  The 3rd International Symposium on Molecular Theory for Real Systems
- Place of Presentation
  Kyoto, Japan
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] Development of New Non-BO Theory to Consider Nucleus-Electron Correlation Expli2010
- Author(s)
  Hiroaki Nishizawa, Yutaka Imamura, Hiromi Nakai
- Organizer
  4th Waseda G-COE International Symposium-Jointly with MANA, NTMS-Advanced Materials Designed at Nano- and Mesoscales
- Place of Presentation
  Tokyo, Japan
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] エネルギー密度解析の平面波基底への拡張(2)2010
- Author(s)
  岡田剛嗣, 今村穣, 菊池那明, 中井浩巳
- Organizer
  日本化学会第90春季年会
- Place of Presentation
  東大阪
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 新しい結合エネルギー密度解析の提案2009
- Author(s)
  菊池那明, 大橋英明, 今村穣, 中井浩巳
- Organizer
  科研費特定領域研究「実在系の分子理論」第四回公開シンポジウム
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] Symmetry Rules for Excited States of Degenerate Systems2009
- Author(s)
  Yutaka Imamura, Yasuaki Kikuchi, Hiromi Nakai
- Organizer
  APCTCC-4
- Place of Presentation
  Port Dickson, Malysia
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 結合エネルギー密度解析の改良と数値検証2009
- Author(s)
  大橋英明, 今村穣, 菊池那明, 中井浩巳
- Organizer
  第12回理論化学討論会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] NOMO法を用いた水素結合系における同位体効果の理論的研究2009
- Author(s)
  五十幡康弘, 今村穣, 中井浩巳
- Organizer
  第9回早慶ワークショップ
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 結合エネルギーの解析手法に対する数値検証と理論展開2009
- Author(s)
  大橋英明、今村穣、菊池那明、中井浩巳
- Organizer
  日本化学会第89春季年会
- Place of Presentation
  船橋
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] Divide-and-conquer linear-scaling calculation for polarizability2009
- Author(s)
  Hiromi Nakai, Masato Kobayashi, Tsuguki Touma, Tomoko Akama, Atsuhiko Fujii, Yutaka imamura
- Organizer
  Molecular Properhies '09 (13th ICQC satellite symposium)
- Place of Presentation
  Asker, Norway
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] Real-time Propagation Time-dependent Density Functional Theory on Core Excitations2009
- Author(s)
  Yutaka Imamura, Tomoko Akama, Hiromi Nakai
- Organizer
  APCTCC-4
- Place of Presentation
  Port Dickson, Malysia
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 新しい結合エネルギー密度解析手法の開発と数値検証2009
- Author(s)
  大橋英明, 今村穣, 菊池那明, 中井浩巳
- Organizer
  日本コンピュータ化学会2009春季年会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] Theoretical study on isotope effects in hydrogen-bonded systems : Extension of Morokuma analysis to ab initio NOMO method2009
- Author(s)
  Yasuhiro Ikabata, Yutaka Imamura, Hiromi Nakai
- Organizer
  APCTCC-4
- Place of Presentation
  Port Dickson, Malysia
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] Development of new method to treat nuclear quantum effect in high accuracy2009
- Author(s)
  H. Nishizawa, M. Hoshino, Y. Imamura, H. Nakai
- Organizer
  The 3rd Global COE International Symposium on 'Practical Chemical Wisdom
- Place of Presentation
  Waseda University (Tokyo, Japan)
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 時間依存密度汎関数理論の凍結軌道解析2009
- Author(s)
  今村穣, 菊池那明, 中井浩巳
- Organizer
  第3回分子科学討論会
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 櫻井-杉浦法を用いたTDDFTによる内殻励起状態の高速計算2008
- Author(s)
  小林正人, 土持崇嗣, 中田彩子, 今村穣, 中井浩巳
- Organizer
  日本コンピュータ化学会2008春季年会
- Place of Presentation
  東京(ポスター発表)
- Year and Date
  2008-05-23
- Data Source
  KAKENHI-PROJECT-19850027
[Presentation] グリッドを用いたエネルギー密度解析手法の開発2008
- Author(s)
  今村穣, 中井浩巳
- Organizer
  「実在系の分子理論」成果報告会
- Place of Presentation
  北海道(ポスター発表)
- Year and Date
  2008-12-17
- Data Source
  KAKENHI-PROJECT-19850027
[Presentation] あらわな相関を考慮した原子核・電子軌道(EC-NOMO)理論の開発 : 二電子積分の求積法2008
- Author(s)
  西澤宏晃, 星野稔, 今村穣, 中井浩巳
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡国際会議場(福岡)
- Year and Date
  2008-09-26
- Data Source
  KAKENHI-PROJECT-19850027
[Presentation] 平面波基底におけるエネルギー密度解析 : PW-EDA2008
- Author(s)
  今村穣、高橋明日香、中井浩巳
- Organizer
  日本コンピユータ化学会2008春季年会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] あらわな相関を考慮した原子核・電子軌道(EC-NOMO)理論の開発 : 二電子積分の求積法2008
- Author(s)
  西澤宏晃、星野稔、今村穣、中井浩巳
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] グリッドを用いたエネルギー密度解析手法の開発2008
- Author(s)
  今村穣, 中井浩巳
- Organizer
  「実在系の分子理論」成果報告会
- Place of Presentation
  北海道大学(北海道)
- Year and Date
  2008-12-17
- Data Source
  KAKENHI-PROJECT-19850027
[Presentation] 平面波基底におけるエネルギー密度解析 : PW-EDA2008
- Author(s)
  今村穣, 高橋明日香, 中井浩巳
- Organizer
  日本コンピュータ化学会2008春季年会
- Place of Presentation
  東京(口頭発表)
- Year and Date
  2008-05-23
- Data Source
  KAKENHI-PROJECT-19850027
[Presentation] 櫻井一杉浦法を用いたTDDFTによる内殻励起状態の高速計算2008
- Author(s)
  小林正人、土持崇嗣、中田彩子、今村穣、中井浩巳
- Organizer
  日本コンピュータ化学会2008春季年会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 平面波基底におけるエネルギー密度解析 : PW-EDA2008
- Author(s)
  今村穣, 高橋明日香, 中井浩巳
- Organizer
  日本コンピュータ化学会2008春季年会
- Place of Presentation
  東京工業大学(東京)
- Year and Date
  2008-05-23
- Data Source
  KAKENHI-PROJECT-19850027
[Presentation] 櫻井-杉浦法を用いたTDDFTによる内殻励起状態の高速計算2008
- Author(s)
  小林正人, 土持崇嗣, 中田彩子, 今村穣, 中井浩巳
- Organizer
  日本コンピュータ化学会2008春季年会
- Place of Presentation
  東京工業大学(東京)
- Year and Date
  2008-05-23
- Data Source
  KAKENHI-PROJECT-19850027
[Presentation] A novel hybrid functional for TDDFT:Core-Valence-Rydberg B3LYP2007
- Author(s)
  Yutaka Imamura, Ayako Nakata, Hiromi Nakai
- Organizer
  3rd Asia-Pacific Conference on Theoretical & Computational Chemistry(APCTCC)
- Place of Presentation
  Beijing,PR China
- Data Source
  KAKENHI-PROJECT-19850027
[Presentation] 平面波基底を用いた第一原理計算に対する新しい解析手法の提案:PW-EDA2007
- Author(s)
  高橋明日香、今村穣、中井浩巳
- Organizer
  日本化学会第1回関東支部大会
- Place of Presentation
  首都大学(八王子)
- Data Source
  KAKENHI-PROJECT-19850027
[Presentation] 分割統治(DC)法による大規模電子状態計算の最近の展開2007
- Author(s)
  赤間知子、小林正人、藤井厚彦、今村穣、中井浩巳
- Organizer
  実在系の分子理論AO2・AO3班合同研究会
- Place of Presentation
  早稲田大学(東京)
- Data Source
  KAKENHI-PROJECT-19850027
[Presentation] NOMO法による二水素結合系の量子効果に関する理論的研究2007
- Author(s)
  五十幡康弘、塚本泰弘、今村穣、星野稔、中井浩巳
- Organizer
  第1回分子科学討諭会
- Place of Presentation
  東北大学(仙台)
- Data Source
  KAKENHI-PROJECT-19850027
[Presentation] Colle-Salvetti型電子-核相関汎関数を用いたNOMO/DFT法の数値検証2007
- Author(s)
  今村穣、塚本泰弘、桐生大義、中井浩巳
- Organizer
  第1回分子科学討論会
- Place of Presentation
  東北大学(仙台)
- Data Source
  KAKENHI-PROJECT-19850027
[Presentation] Divide-and-Conquer法に基づいた0(N)電子相関計算2007
- Author(s)
  小林正人、赤間知子、今村穣、中井浩巳
- Organizer
  第10回理論化学討論会
- Place of Presentation
  名古屋大学(名古屋)
- Data Source
  KAKENHI-PROJECT-19850027
[Presentation] NOMO-gradient法の開発と水素結合系への応用2007
- Author(s)
  五十幡康弘、塚本泰弘、今村穣、星野稔、中井浩巳
- Organizer
  日本化学会第1回関東支部大会
- Place of Presentation
  首都大学(八王子)
- Data Source
  KAKENHI-PROJECT-19850027
[Presentation] NOMO/DFT法の開発2007
- Author(s)
  塚本泰弘、今村穣、桐生大義、中井浩巳
- Organizer
  実在系の分子理論AO2・AO3班合同研究会
- Place of Presentation
  早稲田大学(東京)
- Data Source
  KAKENHI-PROJECT-19850027
[Presentation] 空間分割関数を用いたエネルギー密度解析:平面波基底への拡張2007
- Author(s)
  高橋明日香、今村穣、中井浩巳
- Organizer
  第1回分子科学討論会
- Place of Presentation
  東北大学(仙台)
- Data Source
  KAKENHI-PROJECT-19850027
[Presentation] エネルギー密度解析(EDA)を用いた弱い相互作用解析:C2H4-CH4錯体2007
- Author(s)
  今村穣、中井浩巳
- Organizer
  実在系の分子理論AO2・AO3班合同研究会
- Place of Presentation
  早稲田大学(東京)
- Data Source
  KAKENHI-PROJECT-19850027

1. KIKUCHI Yasuaki (00434283)

# of Collaborated Projects: 2 results

# of Collaborated Products: 10 results
2. NAKAI Hiromi (00243056)

# of Collaborated Projects: 1 results

# of Collaborated Products: 56 results
3. KOBAYASHI Masato (40514469)

# of Collaborated Projects: 1 results

# of Collaborated Products: 8 results
4. SATO Takeshi (30507091)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
5. ATSUMI Teruo (30514210)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. 星野稔 (10409675)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
7. 山内佑介 (40409678)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. 田代基慶

# of Collaborated Projects: 0 results

# of Collaborated Products: 4 results

Imamura Yutaka 今村 穣

IMAMURA Yutaka 今村 穣

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Computational study on development of automatic molecular search methdology and application to next-generation solar cellsPrincipal Investigator

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第一原理計算・データ科学が主導する高次機能非対称配位空間の設計Principal Investigator

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次世代密度汎関数理論を用いた物質デザインシステムの構築Principal Investigator

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Theoretical study on new science by X-ray free-electron laser (XFEL)Principal Investigator

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Multi time scale simulation on chemical reactions by core excitationsPrincipal Investigator

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Development of accelerated quantum dynamics theory

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[Book] エネルギー密度解析による表面モデルの検証および触媒作用の解明2008

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[Book] エネルギー密度解析による表面モデルの検証および触媒作用の解明 (触媒, 50 (7),601?607)2008

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[Journal Article] De novo generation of optically active small organic molecules using Monte Carlo tree search combined with recurrent neural network2021

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[Journal Article] Computational Study on the Search for Non-Fullerene Acceptors, Examination of Interface Geometry, and Investigation of Electron Transfer2019

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[Journal Article] Alternative materials for perovskite solar cells from materials informatics2019

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[Journal Article] Functionalization of Endohedral Metallofullerenes toward Improving Barrier Height for the Relaxation of Magnetization for Dy2@C80-X (X=-CF3, C3N3Ph2)2019

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[Journal Article] Extrapolation of polymer gap by combining cluster and periodic boundary condition calculations with Hueckel theory2018

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[Journal Article] Selective Formation of End-on Orientation between Polythiophene and Fullerene Mediated by Coordination Nanospaces2018

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[Journal Article] Theoretical study on naphthobischalcogenadiazole conjugated polymer systems and C61 derivative as organic photovoltaic semiconductors2018

Imamura Yutaka 今村穣

IMAMURA Yutaka 今村穣