Rchr
J-GLOBAL ID:200901005800017432   Update date: Mar. 19, 2021

Kobayashi Masato

コバヤシ マサト | Kobayashi Masato
Affiliation and department:
Job title: Associate Professor
Other affiliations (2):
Homepage URL  (1): http://sites.google.com/site/chemistmasatokobayashi/
Research field  (1): Basic physical chemistry
Research keywords  (6): electronic structure theory ,  Quantum Chemistry ,  Theoretical Chemistry ,  materials informatics ,  catalyst informatics ,  chemoinformatics
Research theme for competitive and other funds  (9):
  • 2020 - 2023 High-order many body correlation analysis of network forming glass based on comprehensive integration of experimental, theoretical and data sciences
  • 2020 - 2022 パーシステント・ホモロジーを用いたグローバル反応経路地図に対する記述子の開拓
  • 2017 - 2021 大規模複雑電子構造系の遷移状態・電子励起状態計算法の確立と生体反応への応用
  • 2015 - 2019 Evaluation of synergistic effects in chemical reactions of multinary systems and its application to catalyst development
  • 2015 - 2017 感応性化学種が持つ中間的な電子構造とその反応に関する理論的研究
Show all
Papers (78):
  • Toshikazu Fujimori, Masato Kobayashi, Tetsuya Taketsugu. Energy-based automatic determination of buffer region in the divide-and-conquer second-order Møller-Plesset perturbation theory. Journal of Computational Chemistry. 2021
  • Pedro Paulo Ferreira da Rosa, Shiori Miyazaki, Haruna Sakamoto, Yuichi Kitagawa, Kiyoshi Miyata, Tomoko Akama, Masato Kobayashi, Koji Fushimi, Ken Onda, Tetsuya Taketsugu, et al. Coordination Geometrical Effect on Ligand-to-Metal Charge Transfer-Dependent Energy Transfer Processes of Luminescent Eu(III) Complexes. The Journal of Physical Chemistry A. 2021. 125. 1. 209-217
  • Masato Kobayashi, Mei Harada, Hideo Takakura, Kanta Ando, Yuto Goto, Takao Tsuneda, Mikako Ogawa, Tetsuya Taketsugu. Theoretical and Experimental Studies on the Near-Infrared Photoreaction Mechanism of a Silicon Phthalocyanine Photoimmunotherapy Dye: Photoinduced Hydrolysis by Radical Anion Generation. ChemPlusChem. 2020. 85. 9. 1959-1963
  • 小林正人. データ科学を活用した触媒反応の活性予測、活性因子の特定. マテリアルステージ. 2020. 20. 1. 42-48
  • Yusuke Kondo, Yuri Goto, Masato Kobayashi, Tomoko Akama, Takeshi Noro, Tetsuya Taketsugu. All-electron relativistic spin-orbit multireference computation to elucidate the ground state of CeH. Physical Chemistry Chemical Physics. 2020. 22. 46. 27157-27162
more...
MISC (49):
Books (4):
  • The Art of High Performance Computing for Computational Science, Vol. 2
    Springer 2019
  • Keisan Kagaku no tameno HPC Gijutsu 2
    Osaka University Press 2017 ISBN:9784872595871
  • すぐできる量子化学計算ビギナーズマニュアル
    講談社 2015 ISBN:9784061543881
  • Linear-scaling techniques in computational chemistry and physics : methods and applications
    Springer 2011 ISBN:9789048128525
Lectures and oral presentations  (80):
  • Data Scientific Analysis of Quantum Chemical Calculation Results for Surface Adsorption Systems and Its Application to Catalysis
    (36th Computational Materials Design Workshop 2020)
  • Construction of quantum chemical calculation database of surface adsorption systems and its application to catalytic activity analysis
    (ESICB Electron Theory Meeting 2019)
  • Data-Scientific Analysis of Quantum Chemical Calculation Results for Surface Adsorption Systems and Its Application to Catalysts
    (Rare Events Workshop 2019 2019)
  • Surface model calculation database for predicting catalytic activity: An application to methane steam reforming
    (The ninth conference of the Asia-Pacific Association of Theoretical and Computational Chemists (APATCC2019) 2019)
  • Calculation, Analysis, and Prediction for Catalyst and Surface Adsorption Systems with Informatics Techniques and Automated Reaction Path Search
    (2nd International Workshop on Phase Interfaces Science for Highly Efficient Energy Utilization 2018)
more...
Education (2):
  • 2004 - 2007 Waseda University Department of Chemistry
  • 1999 - 2003 Waseda University Department of Chemistry
Professional career (1):
  • PhD (Science) (Waseda University)
Work history (13):
  • 2020/11 - 現在 Hokkaido University Faculty of Science Department of Chemistry Associate Professor
  • 2019/04 - 現在 Hokkaido University WPI-ICReDD Concurrent Associate Professor
  • 2017/08 - 現在 Kyoto University Elements Strategy Initiative for Catalysts and Batteries Lecturer
  • 2017/07 - 2020/10 Hokkaido University Faculty of Science Lecturer
  • 2015/12 - 2019/03 JST PRESTO Researcher
Show all
Committee career (7):
  • 2016/04 - 現在 National Institute of Science and Technology Policy (NISTEP) Investigator, Science and Technology Experts Network
  • - 2020/09 Secretariat Office
  • - 2019/05 22nd Symposium on Theoretical Chemistry Organizing Committee
  • - 2017/05 The 15th Annual Meeting of Society of Nano Science and Technology Organizing Committee
  • - 2015/06 31st Symposium on Chemical Kinetics and Dynamics Organizing Committee
Show all
Awards (3):
  • 2012 - 2nd CMSI Workshop Excellent Poster Award
  • 2009 - Society of Computer Chemistry, Japan Yoshida Award (Excellent Paper Award)
  • 2008 - WATOC2008 Poster Prize
Association Membership(s) (5):
Japan Society of Theoretical Chemistry ,  CATALYSIS SOCIETY OF JAPAN ,  THE CHEMICAL SOCIETY OF JAPAN ,  JAPAN SOCIETY FOR MOLECULAR SCIENCE ,  SOCIETY OF COMPUTER CHEMISTRY, JAPAN
※ Researcher’s information displayed in J-GLOBAL is based on the information registered in researchmap. For details, see here.

Return to Previous Page