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Molecular theories for self-assembly and order formation

Planned Research

Project AreaDynamical ordering of biomolecular systems for creation of integrated functions
Project/Area Number 25102002
Research Category

Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

Allocation TypeSingle-year Grants
Review Section Science and Engineering
Research InstitutionKyoto University

Principal Investigator

SATO Hirofumi  京都大学, 工学研究科, 教授 (70290905)

Co-Investigator(Kenkyū-buntansha) 山本 武志  京都大学, 理学研究科, 助教 (30397583)
Project Period (FY) 2013-06-28 – 2018-03-31
Project Status Completed (Fiscal Year 2018)
Budget Amount *help
¥72,020,000 (Direct Cost: ¥55,400,000、Indirect Cost: ¥16,620,000)
Fiscal Year 2017: ¥17,030,000 (Direct Cost: ¥13,100,000、Indirect Cost: ¥3,930,000)
Fiscal Year 2016: ¥17,160,000 (Direct Cost: ¥13,200,000、Indirect Cost: ¥3,960,000)
Fiscal Year 2015: ¥17,160,000 (Direct Cost: ¥13,200,000、Indirect Cost: ¥3,960,000)
Fiscal Year 2014: ¥17,160,000 (Direct Cost: ¥13,200,000、Indirect Cost: ¥3,960,000)
Fiscal Year 2013: ¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000)
Keywords自己集合 / マスター方程式 / 液体の積分方程式理論 / 粗視化モデル / エネルギーランドスケープ / 量子化学 / 反応ネットワーク / 電子状態理論 / 自由エネルギー / 自己組織化系 / 液体の積分方程式 / 自己集合化
Outline of Final Research Achievements

Self-assembly is a process in which a certain number of molecules assemble to spontaneously form an ordered structure. In this project, we aimed to clarify the mechanism and dynamics of the process. As a result, (1) we have developed fundamental methods to understand self-assembly process in mind. (2) Nanocube is a self-assembling system, in which six gear-like amphiphilic molecules form an ordered cubic structure. We have studied the system using all-atom model and coarse-grained model to understand the assembling mechanism. (3) The time evolution was analyzed for the formation process of octahedron-shaped coordination capsule consisting of Pd (II) ions and eight panel-shaped ligands, by utilizing master equation. Detail of the formation process including the rate-determining step was investigated using quantum chemical effective Hamiltonian. Moreover, based on these, (4) The dynamics and molecular characteristics of various self-assembly processes were clarified.

Academic Significance and Societal Importance of the Research Achievements

自己集合過程のメカニズムとダイナミクスの理解は、多くの自然現象にも通底する普遍性の高い課題である。しかし実験的にも未解明であり、既存の理論化学の方法でも十分答えることができなかった。本課題では溶液中での自己集合過程の分子シミュレーションを世界で初めて成功させて、原子レベルで溶媒分子の役割を明らかにした。また対象を粗視化することで幅広い時間・空間スケールにおける分子や分子集団の挙動を特徴付け、実際の観測結果と結びつけながら現象を俯瞰するためのフレームワークを構築した。

Report

(6 results)
  • 2018 Final Research Report ( PDF )
  • 2017 Annual Research Report
  • 2016 Annual Research Report
  • 2015 Annual Research Report
  • 2014 Annual Research Report
  • 2013 Annual Research Report

Research Products

(68 results)

All 2019 2018 2017 2016 2015 2014 2013 Other

All Int'l Joint Research (1 results) Journal Article (11 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 11 results,  Acknowledgement Compliant: 2 results) Presentation (56 results) (of which Int'l Joint Research: 21 results,  Invited: 16 results)

  • [Int'l Joint Research] The University of Cambridge(英国)

    • Related Report
      2015 Annual Research Report
  • [Journal Article] A Kinetics Study of Ligand Substitution Reaction on Dinuclear Platinum Complexes: Stochastic Versus Deterministic Approach2019

    • Author(s)
      T. Iioka, S. Takahashi, Y. Yoshida, Y. Matsumura, S. Hiraoka, and H. Sato
    • Journal Title

      Journal of Computational Chemistry

      Volume: 40 Issue: 1 Pages: 281-287

    • DOI

      10.1002/jcc.25588

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A Stochastic Model Study on the Self-Assembly Process of a Pd2L4 Cage Consisting of Rigid Ditopic Ligands2019

    • Author(s)
      S. Takahashi, Y. Sasaki, S. Hiraoka, and H. Sato
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 21 Issue: 12 Pages: 6341-6347

    • DOI

      10.1039/c8cp06102e

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Chiral Effects on the Final Step of an Octahedron-shaped Coordination Capsule Self-assembly2018

    • Author(s)
      Y. Matsumura, S. Iuchi, S. Hiraoka, *H. Sato
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 20 Issue: 11 Pages: 7383-7386

    • DOI

      10.1039/c7cp08237a

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical approaches for dynamical ordering of biomolecular systems2018

    • Author(s)
      Okumura Hisashi、Higashi Masahiro、Yoshida Yuichiro、Sato Hirofumi、Akiyama Ryo
    • Journal Title

      Biochimica et Biophysica Acta(BBA) - General Subjects

      Volume: 1862 Issue: 2 Pages: 212-228

    • DOI

      10.1016/j.bbagen.2017.10.001

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Self-Assembly of Nanocubic Molecular Capsules via Solvent-Guided Formation of Rectangular Blocks2018

    • Author(s)
      Yamamoto Takeshi, Arefi Hadi, Shanker Sudhanshu, Sato Hirofumi, Hiraoka Shuichi
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 9 Issue: 20 Pages: 6082-6088

    • DOI

      10.1021/acs.jpclett.8b02624

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A reaction model on the self-assembly process of octahedron-shaped coordination capsules2017

    • Author(s)
      Matsumura Yoshihiro、Hiraoka Shuichi、Sato Hirofumi
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 19 Issue: 31 Pages: 20338-20342

    • DOI

      10.1039/c7cp03493h

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Relating stacking structures and charge transport in crystal polymorphs of the pyrrole-based π -conjugated molecule2017

    • Author(s)
      Fujita Takatoshi、Haketa Yohei、Maeda Hiromitsu、Yamamoto Takeshi
    • Journal Title

      Organic Electronics

      Volume: 49 Pages: 53-63

    • DOI

      10.1016/j.orgel.2017.06.028

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Assessing the accuracy of integral equation theories for nano-sized hydrophobic solutes in water2017

    • Author(s)
      Fujita Takatoshi、Yamamoto Takeshi
    • Journal Title

      The Journal of Chemical Physics

      Volume: 147 Issue: 1 Pages: 014110-014110

    • DOI

      10.1063/1.4990502

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Potential energy landscapes of tetragonal pyramid molecules2016

    • Author(s)
      Yuichiro Yoshida, Hirofumi Sato, John W.R. Morgan, and David J. Wales
    • Journal Title

      Chemical Physics Letters

      Volume: 664 Pages: 5-9

    • DOI

      10.1016/j.cplett.2016.09.058

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] A molecular level study of selective cation capture by a host-guest mechanism for 25,26,27,28-tetramethoxycalix[4]arene in MClO4 solution (M=Na, K)2014

    • Author(s)
      Kentaro Kido, Kento Kasahara, Hirofumi Sato, and Shigeyoshi Sakaki
    • Journal Title

      Molecular Simulation

      Volume: 41 Issue: 10-12 Pages: 881-891

    • DOI

      10.1080/08927022.2014.895002

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Critical Role of Deep Hydrogen Tunneling to Accelerate the Antioxidant Reaction of Ubiquinol and Vitamin E2014

    • Author(s)
      Taichi Inagaki and Takeshi Yamamoto
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 118 Issue: 4 Pages: 937-950

    • DOI

      10.1021/jp410263f

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Presentation] Molecular dynamics and enhanced sampling simulation of nanocapsule formation and spontaneous shape conversion via guest molecules2018

    • Author(s)
      Sudhanshu Shanker; Takeshi Yamamoto; Hirofumi Sato
    • Organizer
      The 6th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Supramolecular polymer elongation studied by replica-exchange with solute tempering molecular dynamics simulation2018

    • Author(s)
      Hadi Arefi; Takeshi Yamamoto; Hirofumi Sato
    • Organizer
      The 6th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Molecular theories for self-asembly and order formation2018

    • Author(s)
      Hirofumi Sato; Takeshi Yamamoto; Sudhanshu Shanker; Hadi Arefi
    • Organizer
      The 6th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 分子レベルで見る自己集合過程の実時間追跡2018

    • Author(s)
      佐藤啓文
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] Self-assembly process at molecular level2018

    • Author(s)
      Hirofumi Sato
    • Organizer
      7th Japan-Czech-Slovak Symposium
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 分子集合の理論化学2018

    • Author(s)
      佐藤啓文
    • Organizer
      神戸大学セミナー
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] 自己集合過程の分子理論2018

    • Author(s)
      佐藤啓文
    • Organizer
      第一回ExCELLSシンポジウム
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] Molecular theories for self-assembly2018

    • Author(s)
      Hirofumi Sato
    • Organizer
      Frontier Bioorganization Forum 2018
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 自己集合過程の分子動態2017

    • Author(s)
      佐藤啓文;飯岡達也;松村祥宏;平岡秀一
    • Organizer
      第10回分子科学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] A Kinetic Study of Substitution Reaction on Dinuclear Platium Complex by Utilizing Gillespie Algorithm Simulation2017

    • Author(s)
      Tatsuya Iioka; Yoshihiro Matsumura; Ayako Baba; Shuichi Hiraoka; Hirofumi Sato
    • Organizer
      The 5th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] A Model Hamiltonian to Evalute the Stability of MnL2n Coordination Polyhedra2017

    • Author(s)
      Yuichiro Yoshida; Satoru Iuchi; Hirofumi Sato
    • Organizer
      The 5th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] An Integral Equation Theory for Two-dimensional Molecular Fluids: Toward an Understanding of the Molecular Structure of Lipid Bilayer2017

    • Author(s)
      Tomoaki Yagi; Hirofumi Sato
    • Organizer
      The 5th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 分子性二次元流体の積分方程式理論2017

    • Author(s)
      矢木智章; 佐藤啓文
    • Organizer
      研究会「凝縮系の理論化学」
    • Related Report
      2016 Annual Research Report
  • [Presentation] 配位駆動形自己集合過程の反応解析2017

    • Author(s)
      飯岡達也;松村祥宏; 馬場絢子; 平岡秀一; 佐藤啓文
    • Organizer
      研究会「凝縮系の理論化学」
    • Related Report
      2016 Annual Research Report
  • [Presentation] Understanding of Self-Assembly Process at Molecular Level2017

    • Author(s)
      Hirofumi Sato
    • Organizer
      Frontier Bioorganization Forum 2017: Dynamical ordering and integrated functions of biomolecular systems
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 脂質膜を志向した分子性二次元流体のための積分方程式理論2017

    • Author(s)
      矢木智章; 佐藤啓文
    • Organizer
      第20回理論化学討論会
    • Related Report
      2016 Annual Research Report
  • [Presentation] A kinetic study of substitution reaction on dinuclear platinum complex2017

    • Author(s)
      IIOKA Tatsuya; MATSUMURA Yoshihiro; BABA Ayako; HIRAOKA Shuichi; SATO Hirofumi
    • Organizer
      第33回化学反応討論会
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] “Time evolution of self-assembly processes at molecular-level”2017

    • Author(s)
      Hirofumi Sato
    • Organizer
      International Symposium on “Diversity of Chemical Reaction Dynamics”
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Phenomenological and Molecular approach to Self-Assembly process of metal-ligand system2016

    • Author(s)
      Yoshihiro Matsumura, Satoru Iuchi, Hirofumi Sato
    • Organizer
      Future of Chemical Physics
    • Place of Presentation
      St. Edmund Hall, Oxford (UK)
    • Year and Date
      2016-08-31
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Phenomenological and Molecular approach to Self-Assembly process of metal-ligand system2016

    • Author(s)
      Yoshihiro Matsumura, Satoru Iuchi, Hirofumi Sato
    • Organizer
      Energy Landscapes: Theory and Applications
    • Place of Presentation
      Porquerolles (France)
    • Year and Date
      2016-06-28
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Energy landscape of intramolecular reactions in metal-ligand self-assembly: Model hamiltonian approach2016

    • Author(s)
      Yoshihiro Matsumura, Satoru Iuchi, Hirofumi Sato
    • Organizer
      第32回反応化学討論会
    • Place of Presentation
      大宮ソニックシティ ソニックシティホール
    • Year and Date
      2016-06-01
    • Related Report
      2015 Annual Research Report
  • [Presentation] 金属-配位子系における自己集合反応のためのモデルハミルトニアン2016

    • Author(s)
      松村 祥宏、井内哲、佐藤 啓文
    • Organizer
      第19回理論化学討論会
    • Place of Presentation
      早稲田大学西早稲田キャンパス
    • Year and Date
      2016-05-23
    • Related Report
      2015 Annual Research Report
  • [Presentation] ピラミッド型分子の自己集合のエネルギー地形2016

    • Author(s)
      吉田 悠一郎、佐藤 啓文
    • Organizer
      第19回理論化学討論会
    • Place of Presentation
      早稲田大学西早稲田キャンパス
    • Year and Date
      2016-05-23
    • Related Report
      2015 Annual Research Report
  • [Presentation] 自己組織化過程の理論化学2016

    • Author(s)
      佐藤啓文
    • Organizer
      日本化学会第96春季年会(2016)
    • Place of Presentation
      同志社大学京田辺キャンパス
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] 六角形型 Pt(II)環状錯体の自己集合過程:(2)理論的アプローチ2016

    • Author(s)
      飯岡達也、松村祥宏、馬場絢子、平岡秀一、佐藤啓文
    • Organizer
      日本化学会第96春季年会(2016)
    • Place of Presentation
      同志社大学京田辺キャンパス
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] 分子の統計力学:構造揺らぎ・拡散・溶媒和2016

    • Author(s)
      佐藤 啓文
    • Organizer
      分子基盤に基づく生体機能への揺らぎと ダイナミックネットワークの解明
    • Place of Presentation
      国際高等研究所
    • Year and Date
      2016-02-18
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] Chemical processes in condensed phase: Quantum chemistry and statistical mechanics2016

    • Author(s)
      Hirofumi Sato
    • Organizer
      JFS-Joint Symposium on Theoretical and Computational Science of Complex System
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] ポテンシャルエネルギー曲面から見た分子集合体と構成分子の関係性2016

    • Author(s)
      吉田 悠一郎;佐藤 啓文;John W. R. Morgan;David J. Wales
    • Organizer
      第10回分子科学討論会
    • Related Report
      2016 Annual Research Report
  • [Presentation] 金属・配位子系における自己集合反応の理論研究2016

    • Author(s)
      松村 祥宏;井内 哲;佐藤 啓文
    • Organizer
      第10回分子科学討論会
    • Related Report
      2016 Annual Research Report
  • [Presentation] 分子集団・分子集合の理論化学2016

    • Author(s)
      佐藤啓文
    • Organizer
      第11回新大先端化学セミナー
    • Related Report
      2016 Annual Research Report
    • Invited
  • [Presentation] Potential energy landscapes of tetragonal pyramid molecules2016

    • Author(s)
      Yuichiro Yoshida;Hirofumi Sato;John W. R. Morgan;David J. Wales
    • Organizer
      4th International Conference on Molecular Simulation (ICMS 2016)
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Multi-scale couplings for chemical processes at molecular level: quantum chemistry and statistical mechanics2015

    • Author(s)
      Hirofumi Sato
    • Organizer
      Pacifichem
    • Place of Presentation
      Honolulu, Hawaii, USA
    • Year and Date
      2015-12-15
    • Related Report
      2014 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Molecular theories for self-organization and order formation2015

    • Author(s)
      Hirofumi Sato and Takeshi Yamamoto
    • Organizer
      The 4th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions
    • Place of Presentation
      九州大学西新プラザ
    • Year and Date
      2015-11-22
    • Related Report
      2014 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Self assembly of gear-shaped amphiphiles into a molecular capsule (nanocube): computational study2015

    • Author(s)
      Takeshi Yamamoto and Hirofumi Sato
    • Organizer
      The 4th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions
    • Place of Presentation
      九州大学西新プラザ
    • Year and Date
      2015-11-22
    • Related Report
      2014 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Estimating structural stability of self-assembled clusters2015

    • Author(s)
      Yuichiro Yoshida and Hirofumi Sato
    • Organizer
      The 4th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions
    • Place of Presentation
      九州大学西新プラザ
    • Year and Date
      2015-11-22
    • Related Report
      2014 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Master equation analysis on intermediates in self assembly process of an octahedron-shaped coordination capsule2015

    • Author(s)
      Yoshihiro Matsumura, Shuichi Hiraoka and Hirofumi Sato
    • Organizer
      The 4th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions
    • Place of Presentation
      九州大学西新プラザ
    • Year and Date
      2015-11-22
    • Related Report
      2014 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 溶液中ナノキューブ自己組織化過程の自由エネルギー解析2015

    • Author(s)
      山本武志
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学・大岡山キャンパス
    • Year and Date
      2015-09-16
    • Related Report
      2014 Annual Research Report
  • [Presentation] 分子の対称性と自己集合2015

    • Author(s)
      吉田悠一郎、佐藤 啓文
    • Organizer
      第18回理論化学討論会
    • Place of Presentation
      大阪大学(豊中キャンパス)
    • Year and Date
      2015-05-20
    • Related Report
      2014 Annual Research Report
  • [Presentation] マスター方程式に基づく八面体型金属カプセル錯体の自己集合過程2015

    • Author(s)
      松村 祥宏、佐藤 啓文
    • Organizer
      第18回理論化学討論会
    • Place of Presentation
      大阪大学(豊中キャンパス)
    • Year and Date
      2015-05-20
    • Related Report
      2014 Annual Research Report
  • [Presentation] 粗視化モデルと分子シミュレーションを用いた分子の自己集合過程に関する研究2015

    • Author(s)
      吉田悠一郎、佐藤 啓文
    • Organizer
      日本化学会第95春季年会(2015)
    • Place of Presentation
      日本大学理工学部 船橋キャンパス
    • Year and Date
      2015-03-26
    • Related Report
      2014 Annual Research Report
  • [Presentation] 動的秩序形成の分子理論2015

    • Author(s)
      佐藤啓文
    • Organizer
      日本化学会第95春季年会(2015)
    • Place of Presentation
      日本大学理工学部 船橋キャンパス
    • Year and Date
      2015-03-26
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 凝縮系の理論化学2015

    • Author(s)
      佐藤啓文
    • Organizer
      化学反応経路探索のニューフロンティア2015
    • Place of Presentation
      品川区立総合区民会館きゅりあん
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] 分子性液体の密度汎関数理論とマスター方程式による分子の自己集合過程の研究2014

    • Author(s)
      松村 祥宏、佐藤 啓文
    • Organizer
      第37回溶液化学シンポジウム
    • Place of Presentation
      佐賀アバンセ
    • Year and Date
      2014-11-12
    • Related Report
      2014 Annual Research Report
  • [Presentation] 自己組織化ナノキューブの粗視化モデル2014

    • Author(s)
      吉田悠一郎、佐藤 啓文
    • 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
      2014-09-21
    • Related Report
      2014 Annual Research Report
  • [Presentation] ウイルスのカプシド形成の粗視化モデル系の理論研究:分子性液体の密度汎関数理論に基づく形成過程2014

    • Author(s)
      松村 祥宏、佐藤 啓文
    • 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
      2014-09-21
    • Related Report
      2014 Annual Research Report
  • [Presentation] A study of virus capsid formation based on RISM theory2014

    • Author(s)
      Yoshihiro Matsumura and Hirofumi Sato
    • Organizer
      Energy Landscapes: From Single Molecules to Soft Matter
    • Place of Presentation
      Durham University (UK)
    • Year and Date
      2014-08-15
    • Related Report
      2014 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 凝縮系における自己集合過程の分子統計力学理論2014

    • Author(s)
      松村 祥宏、佐藤 啓文
    • Organizer
      第17回理論化学討論会
    • Place of Presentation
      名古屋大学(東山キャンパス)
    • Year and Date
      2014-05-22
    • Related Report
      2014 Annual Research Report
  • [Presentation] RISM-SCF-SEDD法を用いた純溶媒中およびDMSO‐H2O混合溶媒中における塩化ナトリウムの優先溶媒和に関する研究2014

    • Author(s)
      長岡 卓弥、中農 浩史、佐藤 啓文
    • Organizer
      日本化学会第94春季年会(2014)
    • Place of Presentation
      名古屋大学
    • Related Report
      2013 Annual Research Report
  • [Presentation] 溶液中における直鎖状分子の構造揺らぎのための積分方程式理論2013

    • Author(s)
      松村 祥宏、佐藤 啓文
    • Organizer
      第7回分子科学討論会2013
    • Place of Presentation
      京都テルサ(京都府民総合交流プラザ)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 三次元 SSSV 方程式の開発2013

    • Author(s)
      笠原 健人、佐藤 啓文
    • Organizer
      第7回分子科学討論会2013
    • Place of Presentation
      京都テルサ(京都府民総合交流プラザ)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 水溶液中におけるアミノ酸の構造揺らぎに関する理論的研究2013

    • Author(s)
      松村 祥宏、佐藤 啓文
    • Organizer
      第36回溶液化学シンポジウム
    • Place of Presentation
      北海道大学学術交流会
    • Related Report
      2013 Annual Research Report
  • [Presentation] SSSV 方程式の三次元化および電解質溶液への適用2013

    • Author(s)
      笠原 健人、佐藤 啓文
    • Organizer
      第36回溶液化学シンポジウム
    • Place of Presentation
      北海道大学学術交流会
    • Related Report
      2013 Annual Research Report
  • [Presentation] 積分方程式理論を用いた液晶の配向性に関する研究2013

    • Author(s)
      本田 龍之介、佐藤 啓文
    • Organizer
      第36回溶液化学シンポジウム
    • Place of Presentation
      北海道大学学術交流会
    • Related Report
      2013 Annual Research Report
  • [Presentation] Integral equation theory for solvation effects on molecular structural fluctuation2013

    • Author(s)
      Yoshihiro Matsumura, Hirofumi Sato
    • Organizer
      The 33rd International Conference on Solution Chemistry (33ICSC)
    • Place of Presentation
      Kyoto Terrsa
    • Related Report
      2013 Annual Research Report
  • [Presentation] Molecular Theories of Solvation, Fluctuation and Diffusion in Aqueous Solution2013

    • Author(s)
      Hirofumi Sato, Yoshihiro Matsumura, Kento Kasahara
    • Organizer
      Sixth Korea-Japan Seminars on Biomolecular Sciences: Experiments and Simulations
    • Place of Presentation
      Okazaki Conference Center
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Molecular Level Theories for Chemical Phenomena in Solution Systems2013

    • Author(s)
      Hirofumi Sato
    • Organizer
      金沢大学大学院自然科学研究科 数物科学専攻 第5回凝縮系理論セミナー
    • Place of Presentation
      金沢大学
    • Related Report
      2013 Annual Research Report
    • Invited

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Published: 2013-07-10   Modified: 2022-01-31  

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