Shigeta Yasuteru

J-GLOBAL         Last updated: Apr 18, 2019 at 02:40
 
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Name
Shigeta Yasuteru
E-mail
shigetaccs.tsukuba.ac.jp
URL
http://www2.ccs.tsukuba.ac.jp/public/shigeta/shigeta_HP/Top_page.html
Affiliation
University of Tsukuba
Section
Center for Computational Sciences
Job title
Professor

Research Areas

 
 

Academic & Professional Experience

 
Apr 2016
 - 
Mar 2018
Visiting professor, Institute of Molecular Sciences
 
May 2014
   
 
Visiting Professor, Graduate School of Engineering Sciences, Osaka University
 

Committee Memberships

 
Mar 2017
 - 
Mar 2017
Institute for molecular science  77th Okazaki Conference "Ultrafast dynamics in Molecular Science and Material Science" Chief Organizer
 

Awards & Honors

 
Mar 2007
Research Award, PCCP Prize for the Outstanding Achievement of Young Scientists in Physical Chemistry and Chemical Physics, Royal Chemical Society
Winner: Yasuteru Shigeta
 
Mar 2017
論文査読, Outstanding Reviewers for Physical Chemistry Chemical Physics in 2016, Royal Chemical Society
 
Oct 2017
Research Award, 22nd QSCP Promising Scientist Award of CMOA
Winner: Yasuteru Shigeta
 

Published Papers

 
Sladek, Vladimir; Tokiwa, Hiroaki; Shimano, Hitoshi; Shigeta, Yasuteru
Journal of chemical theory and computation   14(12) 6623-6631   Nov 2018
Protein residue networks (PRN) from energetic and geometric data are probably not identical. PRNs constructed from ab initio pair interaction energies are analyzed for the first time and compared to PRN based on center of mass separation. We use m...
Kayanuma, Megumi;Kidachi, Kaori;Shoji, Mitsuo;Komatsu, Yu;Sato, Akimasa;Shigeta, Yasuteru;Aikawa, Yuri;Umemura, Masayuki
Chem Phys Lett   687 178-183   Nov 2017   [Refereed]
Sato, Akimasa;Kitazawa, Yuya;Ochi, Toshiro;Shoji, Mitsuo;Komatsu, Yu;Kayanuma, Megumi;Aikawa, Yuri;Umemura, Masayuki;Shigeta, Yasuteru
Molecular Astrophysics   10 11-19   Mar 2018   [Refereed]
Kotaro, Sakamoto;Megumi, Kayanuma;Inagaki, Yuji;Tetsuo, Hashimoto;Yasuteru, Shigeta
ACS Omega   in press    Apr 2019   [Refereed]
Shoji, Mitsuo; Isobe, Hiroshi; Shigeta, Yasuteru; Nakajima, Takahito; Yamaguchi, Kizashi
The journal of physical chemistry. B   122(25) 6491-6502   Jun 2018   [Refereed]
The O release of the oxygen-evolving complex of the photosystem II (PSII) is one of the essential processes responsible for the highly efficient O production. Despite its importance, the detailed molecular mechanism is still unsolved. In the prese...

Books etc

 
金属錯体の量子・計算化学
重田,育照;北河康隆 (Part:Contributor, 第4-1章 錯体の伝導性)
Oct 2014   
物性量子化学入門
重田,育照 (Part:Contributor, 第13、14章)
講談社   Sep 2004   
Challenges and Advances in Computational Chemistry and Physics, Chap. 2
Shigeta,Yasuteru (Part:Contributor, Single-Reference Methods for Excited States in Molecules and Polymers)
Springer   Oct 2008   
Advances in the Theory of Atomic and Molecular Systems, Conceptual and Computational Advances in Quantum Chemistry, Chap. 21
Shigeta,Yasuteru (Part:Contributor, Quantum Theory in Terms of Cumulant Variables)
Springer   Oct 2009   
Conceptual and Computational Advances in Quantum Chemistry, Chap. 25
Shigeta,Yasuteru (Part:Contributor, Theoretical Studies on Metal-Containing Artificial DNA Bases”, Advances in the Theory of Atomic and Molecular Systems)
Springer   Oct 2012   

Conference Activities & Talks

 
Theoretical study on the photodissociation of methanol in the interstellar medium
Kayanuma, Megumi;Shoji, Mitsuo;Aikawa, Yuri;Shigeta, Yasuteru;Umemura, Masayuki
The 28th International Conference on Photochemistry (ICP2017)   16 Jul 2017   
Surface Hopping Simulation on the Photodissociation of Methanol
Megumi, Kayanuma;Mitsuo, Shoji;Yuri, Aikawa;Masayuki, Umemura;Yasuteru, Shigeta
CPMD2017 Workshop   18 Oct 2017   
QM/MM Studies of the Reaction Mechanisms of Metalloenzymes [Invited]
Kayanuma, Megumi;Shoji, Mitsuo;Shigeta, Yasuteru
International Congress on Pure & Applied Chemistry 2018   7 Mar 2018   
Computational Studies on Tautmerism in Protein Environment [Invited]
重田, 育照
第55回生物物理学会シンポジウム「タンパク質科学におけるケトエノール異性」   19 Sep 2017   
3重項消光アップコンバージョンの理論解析と物質設計 [Invited]
重田,育照
スーパーコンピュータワークショップ2017「機能性材料設計への最新の計算科学アプローチ」   23 Jan 2018   

Research Grants & Projects

 
Structure-based design of middle molecules for drug discovery
The Japan Agency for Medical Research and Development (AMED): 
Project Year: Jun 2018 - Mar 2021    Investigator(s): Katsumi Maenaka

Patents

 
15/228,873 : Information Processing Apparatus and Simulation Method
重田, 育照
15/228,540 : Information Processing Apparatus and Simulation Method
重田,育照
2015-156703 : 情報処理装置、指標次元抽出方法、および指標次元抽出プログラム
重田,育照
2015-156702 : 情報処理装置、シミュレーション方法、およびシミュレーションプログ 2. ラム
重田,育照
2015-032321 : 情報処理、シミュレーションプログラムおよびシミュレーション方法
重田,育照