SATO Hirofumi

J-GLOBAL         Last updated: Nov 14, 2019 at 02:52
 
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Name
SATO Hirofumi
Affiliation
Kyoto University
Section
Department of Molecular Engineering, Graduate School of Engineering
Job title
Professor
Degree
Dr. of Science, Kyoto University(Kyoto University)
ORCID ID
0000-0001-6266-9058

Research Areas

 
 

Academic & Professional Experience

 
Jul 2010
 - 
Today
Professor, Kyoto University
 
May 2004
 - 
Jun 2010
Associate Professor, Kyoto University
 
May 2002
 - 
Apr 2004
Lecturer, Kyoto University
 
Aug 1996
 - 
Apr 2002
Research Associate (Assistant Professor), Institute for Molecular Science, Okazaki National Research Institutes
 

Education

 
 
 - 
1996
Department of Chemistry, Graduate School, Division of Natural Science, Kyoto University
 

Awards & Honors

 
Nov 2009
-, The Japan Association of Solution Chemistry
 
Aug 2008
-, Morino Foundation for Molecular Science
 
Sep 2006
-, The Japan Society for Molecular Science
 
Mar 2002
The Chemical Society of Japan Young Chemists Award, The Chemical Society of Japan
 

Published Papers

 
Satoshi Takahashi, Yuya Sasaki, Shuichi Hiraoka, Hirofumi Sato
Physical Chemistry Chemical Physics   21(12) 6341-6347   Mar 2019   [Refereed]
Shohei Komine, Satoshi Takahashi, Tatsuo Kojima, Hirofumi Sato, Shuichi Hiraoka
Journal of the American Chemical Society   141(7) 3178-3186   Jan 2019   [Refereed]
Tatsuya Iioka, Satoshi Takahashi, Yuichiro Yoshida, Yoshihiro Matsumura, Shuichi Hiraoka, Hirofumi Sato
Journal of Computational Chemistry   40(1) 279-285   Jan 2019   [Refereed]
Maxim Shishkin, Hirofumi Sato
The Chemical Record   19(4) 779-791   Dec 2018   [Refereed]
Tomoaki Yagi, Hirofumi Sato
Journal of Computational Chemistry   39(31) 2576-2581   Nov 2018   [Refereed]
Takeshi Yamamoto, Hadi Arefi, Sudhanshu Shanker, Hirofumi Sato, Shuichi Hiraoka
The Journal of Physical Chemistry Letters   6082-6088   Oct 2018   [Refereed]
Tomoaki Yagi, Hirofumi Sato
Chemistry Letters   47(7) 901-904   Jul 2018   [Refereed]
Kento Kasahara, Hirofumi Sato
Journal of Computational Chemistry   39(20) 1491-1497   Mar 2018   [Refereed]
Kento Kasahara, Hirofumi Sato
Chemistry Letters   47(3) 311-314   Mar 2018   [Refereed]
Hisashi Okumura, Masahiro Higashi, Yuichiro Yoshida, Hirofumi Sato, Ryo Akiyama
Biochimica et Biophysica Acta (BBA) - General Subjects   1862(2) 212-228   Feb 2018   [Refereed]
Yoshihiro Matsumura, Satoru Iuchi, Hirofumi Sato
Physical Chemistry Chemical Physics   20(2) 1164-1172   Jan 2018   [Refereed]
Maxim Shishkin, Shinichi Kumakura, Syuhei Sato, Kei Kubota, Shinichi Komaba, Hirofumi Sato
CHEMISTRY OF MATERIALS   30(4) 1257-1264   Jan 2018   [Refereed]
Yoshihiro Matsumura, Satoru Iuchi, Shuichi Hiraoka, Hirofumi Sato
Physical Chemistry Chemical Physics   20(11) 7383-7386   Jan 2018   [Refereed]
Maxim Shishkin, Hirofumi Sato
JOURNAL OF PHYSICS-CONDENSED MATTER   29(45) 459601   Nov 2017   [Refereed]
Kento Kasahara, Hirofumi Sato
Phys. Chem. Chem. Phys.   19(41) 27917-27929   Oct 2017   [Refereed]
Maxim Shishkin, Hirofumi Sato
JOURNAL OF PHYSICAL CHEMISTRY C   121(37) 20067-20074   Sep 2017   [Refereed]
Yoshihiro Matsumura, Shuichi Hiraoka, Hirofumi Sato
Phys. Chem. Chem. Phys.   19(31) 20338-20342   Jul 2017   [Refereed]
Maxim Shishkin, Hirofumi Sato
Journal of Physics: Condensed Matter   29(21) 215701   Jun 2017   [Refereed]
Ken Kajita, Hiroshi Nakano, Hirofumi Sato
Molecular Simulation   43(13-16) 997-1003   Jun 2017   [Refereed]
Kento Kasahara, Hiroshi Nakano, Hirofumi Sato
The Journal of Physical Chemistry B   121(20) 5293-5299   May 2017   [Refereed]
Shigeru Yamaguchi, Takahiro Nishimura, Yuta Hibe, Masaki Nagai, Hirofumi Sato, Ian Johnston
Journal of Computational Chemistry   38(21) 1825-1833   Mar 2017   [Refereed]
Kenji Hirano, Hiroshi Nakano, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
Journal of Computational Chemistry   38 1567-1573   Mar 2017   [Refereed]
Kento Kasahara, Hirofumi Sato
The Journal of Chemical Physics   145(19) 194502   Nov 2016   [Refereed]
Yuichiro Yoshida, Hirofumi Sato, John W.R. Morgan, David J. Wales
Chemical Physics Letters   664 5-9   Nov 2016   [Refereed]
Kenichi Kikui, Seigo Hayaki, Kentaro Kido, Daisuke Yokogawa, Kento Kasahara, Yoshihiro Matsumura, Hirofumi Sato, Shigeyoshi Sakaki
Journal of Molecular Liquids   217 12-16   May 2016   [Refereed]
Hiroshi Nakano, Hirofumi Sato
The Journal of Physical Chemistry B   120(8) 1670-1678   Mar 2016   [Refereed]
Yoshihiro Matsumura, Hirofumi Sato
The Journal of Chemical Physics   143(1) 014104   Jul 2015   [Refereed]
Kentaro Kido, Kento Kasahara, Daisuke Yokogawa, Hirofumi Sato
The Journal of Chemical Physics   143(1) 014103   Jul 2015   [Refereed]
Noriaki Ochi, Tsuyoshi Matsumoto, Takeya Dei, Yoshihide Nakao, Hirofumi Sato, Kazuyuki Tatsumi, Shigeyoshi Sakaki
Inorganic Chemistry   54(2) 576-585   Jan 2015   [Refereed]
Hiroshi Nakano, Junki Noguchi, Tomoyuki Mochida, Hirofumi Sato
The Journal of Physical Chemistry A   119(21) 5181-5188   Dec 2014   [Refereed]
Takuya Wada, Hiroshi Nakano, Hirofumi Sato
Journal of Chemical Theory and Computation   10(10) 4535-4547   Aug 2014   [Refereed]
Kentaro Kido, Kento Kasahara, Hirofumi Sato, Shigeyoshi Sakaki
Molecular Simulation   41(10-12) 881-891   Jul 2014   [Refereed]
Kento Kasahara, Hirofumi Sato
The Journal of Chemical Physics   140(24) 244110   Jun 2014   [Refereed]
Kayo Suda, Masahide Terazima, Hirofumi Sato, Yoshifumi Kimura
The Journal of Physical Chemistry B   117(41) 12567-12582   Oct 2013   [Refereed]
Yoshihiro Matsumura, Kenji Iida, Hirofumi Sato
Chemical Physics Letters   584 103-107   Oct 2013   [Refereed]
Kenji Hirano, Hirofumi Sato
Chemical Physics   419 163-166   Jun 2013   [Refereed]
Seigo Hayaki, Yoshifumi Kimura, Hirofumi Sato
JOURNAL OF PHYSICAL CHEMISTRY B   117(22) 6759-6767   Jun 2013   [Refereed]
Hirofumi Sato
PHYSICAL CHEMISTRY CHEMICAL PHYSICS   15(20) 7450-7465   Apr 2013   [Refereed]
Atsushi Ishikawa, Yudai Tanimura, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
ORGANOMETALLICS   31(23) 8189-8199   Dec 2012   [Refereed]
Kenji Iida, Hirofumi Sato
JOURNAL OF CHEMICAL PHYSICS   137(3) 034506   Jul 2012   [Refereed]
Kentaro Kido, Daisuke Yokogawa, Hirofumi Sato
JOURNAL OF CHEMICAL PHYSICS   137(2) 024106   Jul 2012   [Refereed]
Kenji Iida, Hirofumi Sato
JOURNAL OF CHEMICAL PHYSICS   136(24) 244502   Jun 2012   [Refereed]
Hideo Ando, Satoru Iuchi, Hirofumi Sato
Chemical Physics Letters   535 177-181   May 2012   [Refereed]
Kenji Iida, Hirofumi Sato
JOURNAL OF CHEMICAL PHYSICS   136(14) 144510   Apr 2012   [Refereed]
Kentaro Kido, Daisuke Yokogawa, Hirofumi Sato
CHEMICAL PHYSICS LETTERS   531 223-228   Apr 2012   [Refereed]
Ken Saito, Yoshinori Eishiro, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
INORGANIC CHEMISTRY   51(5) 2785-2792   Mar 2012   [Refereed]
Kenji Iida, Hirofumi Sato
JOURNAL OF PHYSICAL CHEMISTRY B   116(7) 2244-2248   Feb 2012   [Refereed]
Kentaro Kido, Hirofumi Sato, Shigeyoshi Sakaki
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY   112(1) 103-112   Jan 2012   [Refereed]
Leonardo M. da Costa, Seigo Hayaki, Stanislav R. Stoyanov, Sergey Gusarov, Xiaoli Tan, Murray R. Gray, Jeffrey M. Stryker, Rik Tykwinski, J. Walkimar de M. Carneiro, Hirofumi Sato, Peter R. Seidl, Andriy Kovalenko
PHYSICAL CHEMISTRY CHEMICAL PHYSICS   14(11) 3922-3934   2011   [Refereed]
Daisuke Yokogawa, Kohei Ono, Hirofumi Sato, Shigeyoshi Sakaki
DALTON TRANSACTIONS   40(42) 11125-11130   2011   [Refereed]
Hirofumi Sato, Chisa Kikumori, Shigeyoshi Sakaki
PHYSICAL CHEMISTRY CHEMICAL PHYSICS   13(1) 309-313   2011   [Refereed]
Kenji Iida, Hirofumi Sato
JOURNAL OF CHEMICAL PHYSICS   135(24) 244702   Dec 2011   [Refereed]
Marvin Jose F. Fernandez, Hirofumi Sato
THEORETICAL CHEMISTRY ACCOUNTS   130(2-3) 299-304   Oct 2011   [Refereed]
Hiroyuki Sakaba, Hiroyuki Oike, Masaaki Kawai, Masato Takami, Chizuko Kabuto, Mausurni Ray, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
ORGANOMETALLICS   30(17) 4515-4531   Sep 2011   [Refereed]
Naoto Shibata, Hirofumi Sato, Shigeyoshi Sakaki, Yuji Sugita
JOURNAL OF PHYSICAL CHEMISTRY B   115(35) 10553-10559   Sep 2011   [Refereed]
Hideo Ando, Yoshihide Nakao, Hirofumi Sato, Masaaki Ohba, Susumu Kitagawa, Shigeyoshi Sakaki
CHEMICAL PHYSICS LETTERS   511(4-6) 399-404   Aug 2011   [Refereed]
Atsushi Ikeda, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
CHEMICAL PHYSICS LETTERS   505(4-6) 148-153   Mar 2011   [Refereed]
Nobuyoshi Umeda, Koji Hirano, Tetsuya Satoh, Naoto Shibata, Hirofumi Sato, Masahiro Miura
JOURNAL OF ORGANIC CHEMISTRY   76(1) 13-24   Jan 2011   [Refereed]
Seigo Hayaki, Kentaro Kido, Hirofumi Sato, Shigeyoshi Sakaki
PHYSICAL CHEMISTRY CHEMICAL PHYSICS   12(8) 1822-1826   2010   [Refereed]
Hideo Ando, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
DALTON TRANSACTIONS   39(7) 1836-1845   2010   [Refereed]
Atsushi Ishikawa, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
DALTON TRANSACTIONS   39(13) 3279-3289   2010   [Refereed]
Shigeyoshi Sakaki, Yu-Ya Ohnishi, Hirofumi Sato
CHEMICAL RECORD   10(1) 29-45   2010   [Refereed]
Takashi Hosoya, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
JOURNAL OF ORGANIC CHEMISTRY   75(24) 8400-8409   Dec 2010   [Refereed]
Mausumi Ray, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki, Takahito Watanabe, Hisako Hashimoto, Hiromi Tobita
ORGANOMETALLICS   29(23) 6267-6281   Dec 2010   [Refereed]
Viwat Vchirawongkwin, Hirofumi Sato, Shigeyoshi Sakaki
JOURNAL OF PHYSICAL CHEMISTRY B   114(32) 10513-10519   Aug 2010   [Refereed]
Kenji Hirano, Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki
JOURNAL OF PHYSICAL CHEMISTRY B   114(23) 7935-7941   Jun 2010   [Refereed]
Hirofumi Sato, Shigeyoshi Sakaki, Yousuke Sakamoto, Masahiro Kawasaki
CHEMISTRY LETTERS   39(3) 296-297   Mar 2010   [Refereed]
Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki
CHEMICAL PHYSICS LETTERS   487(4-6) 241-245   Mar 2010   [Refereed]
Noriaki Ochi, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
JOURNAL OF PHYSICAL CHEMISTRY A   114(1) 659-665   Jan 2010   [Refereed]
Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki, Yoshifumi Kimura
JOURNAL OF PHYSICAL CHEMISTRY B   114(2) 910-914   Jan 2010   [Refereed]
Daisuke Yokogawa, Hirofumi Sato, Sergey Gusarov, Andriy Kovalenko
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE   87(12) 1727-1732   Dec 2009   [Refereed]
Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki
The Journal of Chemical Physics   131(21) 214504   Dec 2009   [Refereed]
Noriaki Ochi, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE   87(10) 1415-1424   Oct 2009   [Refereed]
Naoki Nakatani, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
CHEMISTRY LETTERS   38(10) 958-959   Oct 2009   [Refereed]
Takashi Hosoya, Yoshihide Nakao, hirofumi Sato, Haruo Kawamoto, Shigeyoshi Sakaki
JOURNAL OF ORGANIC CHEMISTRY   74.0(17) 6891-6894   Sep 2009
Noriaki Ochi, Yoshihide Nakao, Hirofumi Sato, Yoshihiro Matano, Hiroshi Imahori, Shigeyoshi Sakaki
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   131(31) 10955-10963   Aug 2009   [Refereed]
Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki
JOURNAL OF MOLECULAR LIQUIDS   147(1-2) 112-116   Jul 2009   [Refereed]
Kentaro Kido, hirofumi Sato, Shigeyoshi Sakaki
JOURNAL OF PHYSICAL CHEMISTRY B   113(30) 10509-10514   Jul 2009   [Refereed]
Atsushi Ishikawa, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
INORGANIC CHEMISTRY   48(17) 8154-8163   Jul 2009   [Refereed]
Atsushi Ikeda, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
JOURNAL OF CHEMICAL THEORY AND COMPUTATION   5(7) 1741-1748   Jul 2009   [Refereed]
Kenji Iida, Daisuke Yokogawa, Atsushi Ikeda, Hirofumi Sato, Shigeyoshi Sakaki
PHYSICAL CHEMISTRY CHEMICAL PHYSICS   11(38) 8556-8559   Jul 2009   [Refereed]
Seigo Hayaki, Hirofumi Sato, Shigeyoshi Sakaki
JOURNAL OF MOLECULAR LIQUIDS   147.0(1-2) 9-12   Jul 2009   [Refereed]
Seigo Hayaki, Kentaro Kido, Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki
JOURNAL OF PHYSICAL CHEMISTRY B   113.0(24) 8227-8230   Jun 2009   [Refereed]
Naoki Nakatani, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
JOURNAL OF PHYSICAL CHEMISTRY B   113(14) 4826-4836   Apr 2009   [Refereed]
Koji Osawa, Takuya Hamamoto, Tomotsumi Fujisawa, Masahide Terazima, Hirofumi Sato, Yoshifumi Kimura
JOURNAL OF PHYSICAL CHEMISTRY A   113(13) 3143-3154   Apr 2009   [Refereed]
Yu-ya Ohnishi, Yoshihide Nakao, Hirofumi Sato, Yoshiaki Nakao, Tamejiro Hiyama, Shigeyoshi Sakaki
ORGANOMETALLICS   28(8) 2583-2594   Apr 2009   [Refereed]
Daisuke Yokogawa, Hirofumi Sato, Takashi Imai, Shigeyoshi Sakaki
The Journal of Chemical Physics   130(6) 064111   Feb 2009   [Refereed]
Kenji Iida, Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki
JOURNAL OF CHEMICAL PHYSICS   130(4) 044107   Jan 2009   [Refereed]
Mausumi Ray, Yoshihide Nakao, Hirofumi Sato, Hiroyuki Sakaba, Shigeyoshi Sakaki
ORGANOMETALLICS   28(1) 65-73   Jan 2009   [Refereed]
Akihiro Sugiyama, YuYa Ohnishi, Mayu Nakaoka, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki, Yoshiaki Nakao, Tamejiro Hiyama
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   130(39) 12975-12985   Oct 2008   [Refereed]
Seigo Hayaki, Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki
CHEMICAL PHYSICS LETTERS   458(4-6) 329-332   Jun 2008   [Refereed]
YuYa Ohnishi, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
JOURNAL OF PHYSICAL CHEMISTRY A   112(9) 1946-1955   Mar 2008   [Refereed]
Hirofumi Sato, Shigeyoshi Sakaki
CHEMICAL PHYSICS LETTERS   451(1-3) 171-174   Jan 2008   [Refereed]
Energy partitioning on intermolecular interactions: ab initio Monte Carlo study of water dimer
Tatsuo Amano, Hirofumi Sato, Shigeyoshi Sakaki
CONDENSED MATTER PHYSICS   10(4) 463-470   2007   [Refereed]
Polyatomic molecules in condensed phase: bond order index and solvation energy studied by RISM-SCF theory
Hirofumi Sato, Daisuke Yokogawa, Shigeyoshi Sakaki
CONDENSED MATTER PHYSICS   10(3) 373-380   2007   [Refereed]

Misc

 
Theoretical and Computational Chemistry for Liquids
SATO Hirofumi
Function & Materials   36(9) 11-16   Sep 2016   [Invited]
H. Sato; C. Kikumori; S. Sakaki
AIP Conference Proceedings   1504 887-890   2012   [Refereed]
H. Sato; K. Iida; D. Yokogawa; A. Ikeda; S. Sakaki
AIP Conference Proceedings   1046 44-47   2008   [Refereed]

Books etc

 
Continuum Solvation Models in Chemical Physics: From Theory to Applications
Hirofumi Sato
John Wiley & Sons Inc   Jan 2008   
Molecular Theory of Solvation
Hirofumi Sato
Kluwer Academic   Jan 2003   
Fundamentals and Applications of Supercritical Fluids
平田文男;佐藤啓文
(株)テクノシステム   Jan 2002   
Computational Biochemistry and Biophysics
Fumio Hirata, Hirofumi Sato, Seiichiro Ten-no, Shigeki Kato
Marcel Dekker Inc.   Jan 2001   
Structure and Function of Biological Systems under Extreme Conditions
Hirofumi Sato; Fumio Hirata
Springer Verlag   Jan 2000   
ACS symposium series, 712 “Combined Quantum Mechanical and Molecular Mechanical Methods”
Fumio Hirata, Hirofumi Sato, Seiichiro Ten-no, Shigeki Kato
American Chemical Society   Jan 1998   

Conference Activities & Talks

 
電極界面における酸化還元体の電子状態を決定する理論的手法の開発
松三 勇介;中農 浩史;佐藤 啓文
電気化学会第84回大会   26 Mar 2017   
2017/3/25-27,2H04
Theoretical Study of Phase Stability and Voltage Profile in LixC6
大田 航;Maxim Shishkin;佐藤 啓文
電気化学会第84回大会   25 Mar 2017   
2017/3/25-27,1L11
An Integral Equation Theory for Two-dimensional Molecular Fluids: Toward an Understanding of the Molecular Structure of Lipid Bilayer
Tomoaki Yagi; Hirofumi Sato
The 5th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions   21 Jan 2017   
2017/1/21-22, P027
A Model Hamiltonian to Evalute the Stability of MnL2n Coordination Polyhedra
Yuichiro Yoshida; Satoru Iuchi; Hirofumi Sato
The 5th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions   21 Jan 2017   
2017/1/21-22, P015
A Kinetic Study of Substitution Reaction on Dinuclear Platium Complex by Utilizing Gillespie Algorithm Simulation
Tatsuya Iioka; Yoshihiro Matsumura; Ayako Baba; Shuichi Hiraoka; Hirofumi Sato
The 5th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions   21 Jan 2017   
2017/1/21-22, P011
Chemical processes in condensed phase: Quantum chemistry and statistical mechanics [Invited]
Hirofumi Sato
JFS-Joint Symposium on Theoretical and Computational Science of Complex System   28 Nov 2016   
2016/10/26-28
Toward a method to calculate quantum rate constants of chemical reactions in solution using Ring Polymer Molecular Dynamics method
Takuya Iwakawa;Oda Nozomu;Hiroshi Nakano;Hirofumi Sato
JFS-Joint Symposium on Theoretical and Computational Science of Complex System   26 Nov 2016   
2016/10/26-28,P20
Phase Stability and Band Structure of Alkali Metal_Graphite Intercalation Compounds for Their Application as Negative Electrodes in Secondary Batteries
Wataru Ota; Maxim Shishkin;Hirofumi Sato
JFS-Joint Symposium on Theoretical and Computational Science of Complex System   26 Nov 2016   
2016/10/26-28,P22
Development of a method to study the electronic structure of a redox species at the electrode interface
Yusuke Matsumi; Hiroshi Nakano; Hirofumi Sato
JFS-Joint Symposium on Theoretical and Computational Science of Complex System   26 Nov 2016   
2016/10/26-28,P23
Application of DFT+U with Magnetic Exchange Method to the Analysis of Redox and Magnetic Properties of Cathode Materials of Li--and Na--ion Batteries
Maxim Shishkin and Hirofumi Sato
JFS-Joint Symposium on Theoretical and Computational Science of Complex System   26 Nov 2016   
2016/10/26-28,P30
Theoretical Study of Graphite Intercalation Compounds in Li, Na and K-ion Batteries
大田 航;Maxim Shishkin;佐藤啓文
第6回CSJ化学フェスタ   16 Nov 2016   
2016/11/14-16,P8-004
Potential energy landscapes of tetragonal pyramid molecules
Yuichiro Yoshida;Hirofumi Sato;John W. R. Morgan;David J. Wales
4th International Conference on Molecular Simulation (ICMS 2016)   24 Oct 2016   
2016/10/23-26,P044
A theory of diffusion controlled reactions in polyatomic molecule system
Kento Kasahara;Hirofumi Sato
4th International Conference on Molecular Simulation (ICMS 2016)   24 Oct 2016   
2016/10/23-26,1O02
Molecular theory of chemical processes in condensed phase [Invited]
Hirofumi Sato
International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems (MSCRS2016)   11 Oct 2016   
2016/10/10-13, L2-06
Diffusion-controlled Reactions in Polyatomic Systems Based on Smoluchowski- like Equation
Kento Kasahara;Hirofumi Sato
International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems (MSCRS2016)   11 Oct 2016   
2016/10/10-13, P01
Application of DFT+U with Magnetic Exchange Method to the Analysis of Redox and Magnetic Properties of Cathode Materials of Li-and Na-ion Batteries
Shishkin Maxim1,Sato Hirofumi
International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems (MSCRS2016)   11 Oct 2016   
2016/10/10-13, P10
"A Molecular Level Study of Selective Cation Capture by a Host-Guest Mechanism for 25,26,27,28-Tetramethoxycalix[4]Arene in MClO4Solution (M=Na, K)"
Kentaro Kido;Kento Kasahara;Hirofumi Sato;Shigeyoshi Sakaki
新学術領域研究「揺らぎと生体機能」第6回公開シンポジウム   2012   
Development of a Method to Study the Electronic Structure of a Redox Species at the Electrode Interface
Yusuke Matsumi;Hiroshi Nakano;Hirofumi Sato
International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems (MSCRS2016)   11 Oct 2016   
2016/10/10-13, P12
"Molecular Theory of Chemical Processes in Solution: Chemical Reaction, Equilibrium and Dynamics" [Invited]
Hirofumi Sato
"Workshop on Structure and Dynamics of Water in Gas, Liquid and Solid Phases"   2012   
Application of DFT+U with magnetic exchange method to the analysis of redox and magnetic properties of cathode materials of Li-and Na-ion batteries.
○Shishkin Maxim1,Sato Hirofumi
第10回分子科学討論会   14 Sep 2016   分子科学会
2016/9/13-15,3F12
An ab initio study on an excited-state intramolecular proton transfer reaction in ionic liquids
S. Hayaki;K. Kido;H. Sato;Y. Kimura
The 52nd Sanibel Symposium   2012   
Structural Change of Li-Graphite Intercalation Compounds
大田航; Maxim Shishkin; 佐藤啓文
化学反応経路探索のニューフロンティア2016(SRSP2016)   12 Sep 2016   
2016/9/12, P13
A Theoretical Study on Ionization of Aniline in Aqueous Solution
Y. Matsumura; Kenji Iida; Hirofumi Sato
The International Conference on Statistical Mechanics of Liquids:From Water to Biomolecules   2012   
Evaluation of redox potentials of battery cathodes using self-consistent linear response/DFT+U and DFT+U with magnetic exchange methods.
M. Shishkin;H. Sato
(ICAMM) International Conference on Advanced Materials Modelling   Sep 2016   
2016/08/31-9/7
"A theoretical study of the helical structure and stability of poly(quinoxaline-2,3-dily)s"
R. Honda; H. Sato
The International Conference on Statistical Mechanics of Liquids:From Water to Biomolecules   2012   
Energy landscape of intramolecular reactions in metal-ligand self-assembly: Model hamiltonian approach
Yoshihiro MATSUMURA; Satoru IUCHI; Hirofumi SATO
第32回反応化学討論会   1 Jun 2016   
2016/6/1-6/3, 1P13
A RISM-SCF-SEDD study on an intramolecular proton transfer reaction in ionic liquids
S. Hayaki; H. Sato
The International Conference on Statistical Mechanics of Liquids:From Water to Biomolecules   2012   
Theoretical study of phenolphthalein in solution
Yuta TANAHASHI; Hirofumi SATO
第32回反応化学討論会   1 Jun 2016   
2016/6/1-6/3, 1P14
Accurate evaluation of solvation free energy in integral equation theory for molecular liquids
K. Kido; H.Sato
The International Conference on Statistical Mechanics of Liquids:From Water to Biomolecules   2012   
Theoretical Chemistry of Self-Assembly Process [Invited]
Hirofumi Sato
日本化学会第96春季年会(2016)   24 Mar 2016   日本化学会
2016/3/24-27,1S5-12
Theoretical study of solvatochromism in 2.5-diphenylphosphole using RISM-SCF- SEDD method
Y. Hase; H. Sato
The International Conference on Statistical Mechanics of Liquids:From Water to Biomolecules   2012   
Theoretical study of the solvation effect on the reductive reaction of vinylene carbonate in Lithium-ion Batteries
Kento Kasahara;Hirofumi Sato
The 56th Sanibel Symposium   2016   
2016/2/14-2/19
Development and Applications of Theoretical Methods for Solvated Molecular System
H. Sato
ISTCP-VII   2011   
Ab initio QM/MM calculations of the solvatochromic shifts of a chromophore in ionic liquids
Hiroshi Nakano;Takuya Nagaoka;Hirofumi Sato
The 56th Sanibel Symposium   2016   
2016/2/14-2/19
Using Statistical Mechanics in Chemistry: Chemical Phenomena in Solution Phase [Invited]
H. Sato
Fukui International Symposium for Theoretical Chemistry (FISTC)   2011   
Multi-scale couplings for chemical processes at molecular level: quantum chemistry and statistical mechanics [Invited]
Hirofumi Sato
Pacifichem,   16 Dec 2015   
2015/12/15-20
Impact of solvation: efficient models for chemical reaction and equilibrium in solution phase. [Invited]
H. Sato
World Association of Theoretical and Computational Chemists (WATOC)   2011   
Self assembly of gear-shaped amphiphiles into a molecular capsule (nanocube): computational study
Takeshi Yamamoto; Hirofumi Sato
The 4th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions   23 Nov 2015   
2015/11/22-23, P074
Development of a 2D-RISM equation and its application to solid-liquid interface
K. Iida; H. Sato
World Association of Theoretical and Computational Chemists (WATOC)   2011   
Molecular theories for self-organization and order formation
Hirofumi Sato; Takeshi Yamamoto
The 4th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions   23 Nov 2015   
2015/11/22-23, P070
Theoretical studies on proton and hydrogen bonding in biological molecules
H. Sato;K. Hirano
特定領域研究「高次系分子科学」第5回公開シンポジウム   2011   
Master equation analysis on intermediates in self assembly process of an octahedron-shaped coordination capsule
Yoshihiro Matsumura; Shuichi Hiraoka; Hirofumi Sato
The 4th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions   22 Nov 2015   
2015/11/22-23, P063
The development of 2D-RISM equation for solvation structure near solid-liquid interface
K. Iida;H. Sato
特定領域研究「高次系分子科学」第5回公開シンポジウム   2011   
Estimating structural stability of self-assembled clusters
Yuichiro Yoshida; Hirofumi Sato
The 4th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions   22 Nov 2015   
2015/11/22-23, P069
An Application of RISM Method Incorporating Intramolecular Fluctuation
S. Hayaki;K. Kikui;K. Kido;D. Yokogawa;H. Sato;S. Sakaki
The 5th Mini-Symposium on Liquids   2011   
Molecular theories for chemical processes in the condensed phase [Invited]
Hirofumi Sato
Bristol-Heidelberg-Kyoto symposium   6 Nov 2015   
2015/11/5-6
Chemical Processes in Solution Phase based on the RISM family [Invited]
Hirofumi Sato
"International Symposium on Molecular Science of Fluctuations toward Biological Functions, "Elemental Processes of Life Phenomena, revealed by the RISM/3D-RISM Theory"   2011   
Ab initio Calculations of Electrochemical Properties of Cathode Materials for Li- and Na-ion Batteries
〇Maxim Shishkin;Hirofumi Sato
第9回分子科学討論会   16 Sep 2015   分子科学会
2015/9/16-19,1D10
Theories of Fluctuations: Solvation and Molecular Structure [Invited]
Hirofumi Sato
The 4th International Symposium on "Molecular Science of Fluctuations toward Biological Functions   2010   
Chemical Processes in Solution Phase at Molecular Level: Reaction, Excitation and Diffusion [Invited]
Hirofumi Sato
Pure and Applied Chemistry International Conference 2015 (PACCON2015)   2015   
"A Host-Guest Mechanism for 25,26,27,28-Tetramethoxycalix[4]arene's Cation Selectivity in MClO4 Solution (M=Na, K): Theoretical Study"
K. Kido;H. Sato;S. Sakaki;
第6回ホスト・ゲスト化学シンポジウム   2010   
Methods for treating solvent effects: neither implicit nor explicit models. [Invited]
Hirofumi Sato
The Seminars Theoretical Chemistry Group   10 Feb 2014   
Tungsten Dihydride Silyl Complex: Theoretical Study of Its Non-classical Bonding Nature and Novel Fluxional Behavior
M. Ray;Y. Nakao;H. Sato;S. Sakaki
International Symposium on "Molecular Theory for Real Systems"   2010   
A quantum chemical approach to analyze orbital energy shifts of a molecule in solution : decomposition to the interaction sites' contributions
Hiroshi Nakano;Hirofumi Sato
50th Symposium on Theoretical Chemistry 2014 “Quantum Chemistry and Chemical Dynamics"   2014   
Theoretical Approaches to Chemical Events in Solution Phase: from aqueous solution to ionic liquid
H. Sato;K. Iida;S. Hayaki;K. Kido;D. Yokogawa;S. Sakaki
International Symposium on "Molecular Theory for Real Systems"   2010   
Development of three-dimensional Site-site Smoluchowski-Vlasov equation and application to electrolyte solutions
Kento Kasahara;Hirofumi Sato
EMLG - JMLG annual meeting 2014 Molecular Liquids and Soft Matter from Fundamentals to Applications   2014   
Coronene-Transition Metal complex: view from quantum chemistry and statistical mechanics for solvation effect [Invited]
H. Sato;C. Kikumori;S. Sakaki
International Conference of Computational Methods in Sciences and Engineering (ICCMSE)   2009   
A quantum chemical approach to analyze the orbital energy shift of a molecule in solution: decomposition to the solute fragments' contributions
Hiroshi Nakano;Yugo Hase;Hirofumi Sato
EMLG - JMLG annual meeting 2014 Molecular Liquids and Soft Matter from Fundamentals to Applications   2014   
CASSCF Study of Luminescence Property of Copper (I)-Halide Complex with Phosphine and N-Heteroaromatic Ligands
A. Ishikawa;Y. Nakao;H. Sato;S. Sakaki
The XIIIth International Congress of Quantum Chemistry(13th ICQC)   2009   
A study of virus capsid formation based on RISM theory
Yoshihiro Matsumura;Hirofumi Sato
Energy Landscapes: From Single Molecules to Soft Matter   2014   
"Guest-Induced Spin Transition in a Microporous Coordination Polymer, {FeII(pz)[PtII(CN)4]} "
H. Ando;Y. Nakao;H. Sato;K. Yoneda;M. Ohba;S. Kitagawa;A. B.Gaspar;J. A.Real;S. Sakaki
The XIIIth International Congress of Quantum Chemistry(13th ICQC)   2009   
Molecular theories for self-_organization and order formation [Invited]
Hirofumi Sato
The 2nd International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions   2014   
A Theoretical Analysis of a Diels-Alder Reaction in Ionic Liquids with RISM-SCF-SEDD Method
S. Hayaki;K. Kido;D. Yokogawa;H. Sato;S. Sakaki
3rd Congress on Ionic Liquids   2009   
An integral equation theory for liquid crystal
Ryunosuke Honda;Hirofumi Sato
The 2nd International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions   2014   
A RISM Approarch to Chemical Reactions and the Liquid Structure of RTILs
S. Hayaki;K. Kido;D. Yokogawa;H. Sato;S. Sakaki
COIL-3 Pre-Symposium Science of Ionic Liquids   2009   
Development of three-dimensional SSSV equation
Kento Kasahara;Hirofumi Sato
The 2nd International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions   2014   
Theoretical Study of the Dioxygen Activation Mechanism in Iron(III) Catechol Dioxygenase: Oxygen Activation vs.Substrate Activation
N. Nakatani;Y. Nakao;H. Sato;S. Sakaki
WATOC 2008   2008   
Structural fluctuation of N-alkanes and amino acids in aqueous solution: theoretical study based on integral equation for flexible molecules
Yoshihiro Matsumura;Hirofumi Sato
The 2nd International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions   2014   
A Chemically Reasonable Model of Various Phosphine Ligands: Application of CCSD(T) Calculation to Large Transition Metal Complexes
Y. Ohnishi;M. Nakaoka;Y. Nakao;H. Sato;S. Sakaki
WATOC 2008   2008   
A theoretical study on the optical absorption of the GFPchromophore in solutions
Ken Kajita;Hiroshi Nakano;Hirofumi Sato
The 2nd International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions   2014   
Spin Transition Mechanism and New Necessary Condition of LIESST: DFT Study of [Fe(2-pic)3]2+
H. Ando;Y. Nakao;H. Sato;S. Sakaki
WATOC 2008   2008   
Theoretical Study of the Additive Decomposition in Lithium-Ion Batteries
Kento Kasahara;Hirofumi Sato
33rd International Conference on Solution Chemistry   12 Jul 2013   
"Tungsten η3-Silaallyl/Vinylsilyl, η3-Silapropargyl/Alkynylsilyl, and Silylene Complexes: New Insight of their Bonding Nature and Electronic Structure"
M. Ray;Y. Nakao;H. Sato;S. Sakaki
WATOC 2008   2008   
Integral Equation Theory for Solvation Effects on Molecular Structural Fluctuation
Yoshihiro Matsumura;Hirofumi Sato
33rd International Conference on Solution Chemistry   12 Jul 2013   
Oxygen Atom Transfer Reactions of Iridium and Osmium Complexes: Theoretical Study of Significantly Large Differences between these Two Complexes
A. Ishikawa;Y. Nakao;H. Sato;S. Sakaki
WATOC 2008   2008   
Molecular Statistical Mechanics of Chemical Reactions in Solution Phase [Invited]
Hirofumi Sato
3rd International Conference on Molecular Simulation( ICMS2013)   2013   
Reversible Interconversion of H2 and H2O by a Hydroxo/Sulfido-Bridged Dinuclear Ruthenium-Germanium Complex. Theoretical Study
N. Ochi;Y. Nakao;H. Sato;S. Sakaki
WATOC 2008   2008   
"Molecular Theories of Solvation, Fluctuation and Diffusion in Aqueous Solution" [Invited]
Hirofumi Sato; Yoshihiro Matsumura; Kento Kasahara
6th Japan-Korea Seminars on Biomolecular Science: Experiments and Simulation   2013   
Theoretical Approaches for Chemical Processes: Chemical Reactions and Solvation [Invited]
H. Sato;D. Yokogawa;K. Kido;K. Iida;S. Hayaki;S. Sakaki
1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience   2008   
Molecular theory of chemical processes in solution: Efficient Models for Chemical Reaction and Equilibrium in Solution Phase [Invited]
Hirofumi Sato
2013 Workshop on 3DRISM/RISM: Present and Future   2013   
"Electronic Structures and Spin Transition Mechanism of a LIESST Complex, [FeII(2-pic)3]2+"
H. Ando;Y. Nakao;H. Sato;S. Sakaki
1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience   2008   
Theoretical treatment on structural fluctuation
D. Yokogawa;H. Sato;S. Sakaki
The 5th Workshop "chemistry of biological processes created by Water and Biomolecules"   2008   
Effective interaction energy of water dimer at room temperature
T. Amano;H. Sato;S. Sakaki
The 5th Workshop "chemistry of biological processes created by Water and Biomolecules"   2008   
Chemical Reaction in Solution Phase: A combined method of ab initio MO and integral equation theory for liquids [Invited]
H. Sato
The 2nd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry   2007   
The Nature of Chemical Bond of Solvated Molecules: An Analysis based on the New Resonance Theory
A. Ikeda;H. Sato;S. Sakaki;
The 2nd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry   2007   
Frontier Orbital Consistent Quantum Capping potential Method for Large Transition Metal Complex
Y. Ohnishi;Y. Nakao;H. Sato;S. Sakaki
The 2nd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry   2007   
The 2nd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry
N. Ochi;Y. Nakao;H. Sato;Y. Matano;H. Imahori;S. Sakaki
The 2nd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry   2007   
New generation of the reference interaction site model self-consistent field method
D. Yokogawa;H. Sato;S. Sakaki
The 2nd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry   2007   
Three-dimensional Solvation Structure around Protein: Theoretical Approach Based on Reference Interaction Site Model
D. Yokogawa;H. Sato;S. Sakaki
Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan   2007   
The Nature of Chemical Bond in Solvated Systems: An Analysis Based on the New Resonance Theory
A. Ikeda;H. Sato;S. Sakaki
Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan   2007   
Theoretical Study for Solvation Effects on Oxidative Addition Reaction of Pt(II) Complex: Application of RISM-SCF
S. Hayaki;D. Yokogawa;H. Sato;S. Sakaki
Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan   2007   
The Barrier Origin on the Reaction of CO2 +OH- in Aqueous Solution
K. Iida;D. Yokogawa;H. Sato;S. Sakaki
Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan   2007   
Theoretical Analysis of pH Effect with Multi-component Reference Interaction Site Model: Application to Glycine in HCl Aqueous Solution
K. Kido;H. Sato;S. Shigeyoshi
Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan   2007   
Recent Development of Theoretical Methods for Solvated Molecules
H. Sato;A. Ikeda;D. Yokogawa;S. Sakaki
Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan   2007   
Highly parallelized calculation of three dimensional solvation structure around protein
D. Yokogawa;H. Sato;S. Sakaki;T. Imai
Molecular Science and Chemical Biology of Biomolecular Function (分子科学とケミカルバイオロジーによる生体機能の理解)   2007   
Theoretical study of the dioxygen activation mechanism in Fe(III) catechol dioxygenase: Substrate Activation vs. Oxygen Activation
N. Nakatani;Y. Nakao;H. Sato;S. Sakaki
Molecular Science and Chemical Biology of Biomolecular Function (分子科学とケミカルバイオロジーによる生体機能の理解)   2007   
Chemical Events in Solution Phase: The view from Molecular Level Descriptions [Invited]
H. Sato
International Conference of Computational Methods in Sciences and Engineering   2007   
η3-Silapropargyl/Silylalkynyl and Silylene Acetylide Complexes of [Cp(CO)2M]+ ( M = W or Mo): Theoretical Study of their Interesting Bonding Nature and Stability
Ray M.;中尾 嘉秀;佐藤 啓文 ;坂場 裕之;榊 茂好
第1回分子科学討論会2007   2007   
A new analysis of molecular orbital wave function based on resonance theory
A. Ikeda;Y. Nakao;H. Sato;S. Sakaki
47th Sanibel Symposium   2007   
The nature of chemical bond of solvated molecules: Using the new analysis of molecular orbital wave functions based on the resonance theory
A. Ikeda;D. Yokogawa;H. Sato;S. Sakaki
The 4th Workshop "chemistry of biological processes created by Water and Biomolecules"   2006