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J-GLOBAL ID:202001017854308900   Update date: Nov. 13, 2024

Ishimura Kazuya

イシムラ カズヤ | Ishimura Kazuya
Clips
Affiliation and department:
Job title: リサーチフェロー
Homepage URL  (1): http://smash-qc.sourceforge.net/
Research field  (1): Basic physical chemistry
Research keywords  (4): Electronic Structure Theory ,  SMASH ,  Massively Parallel Calculation ,  Quantum Chemistry
Research theme for competitive and other funds  (4):
  • 2016 - 2019 Performance enhancement and generalization of massively parallel quantum chemistry calculation open source software SMASH
  • 2013 - 2016 Development and implementation of algorithms for massively parallel quantum chemistry calculations
  • 2011 - 2012 Development of Parallel Algorithm for Highly Accurate QuantumChemistry Calculations
  • 2006 - 2009 Structures and Functionalization of Composite Electronic Systems based on Nanomolecules
Papers (51):
  • Vladimir Mironov, Konstantin Komarov, Jingbai Li, Igor Gerasimov, Hiroya Nakata, Mohsen Mazaherifar, Kazuya Ishimura, Woojin Park, Alireza Lashkaripour, Minseok Oh, et al. OpenQP: A Quantum Chemical Platform Featuring MRSF-TDDFT with an Emphasis on Open-Source Ecosystem. Journal of Chemical Theory and Computation. 2024
  • Vladimir Mironov, Konstantin Komarov, Jingbai Li, Igor Gerasimov, Hiroya Nakata, Mohsen Mazaheri, Kazuya Ishimura, Woojin Park, Alireza Lashkaripour, Minseok Oh, et al. OpenQP: A Quantum Chemical Platform Featuring MRSF-TDDFT with an Emphasis on Open-source Ecosystem. 2024
  • Toyokazu Ishida, Kazuya Ishimura. Chemical Heat Storage Mechanism in Alkaline Earth Metal Oxide: Ab Initio Modeling of the Initial Hydration Reaction on MgO(001) Surface. The Journal of Physical Chemistry C. 2024
  • Masaichi Saito, Takumi Suzuki, Koki Takahashi, Saya Seko, Shunsuke Furukawa, Shintaro Fujii. Creation of (σ+π)-Mixed Delocalization. Chemistry Letters. 2023
  • Masaichi Saito, Takumi Suzuki, Koki Takahashi, Saya Seko, Shunsuke Furukawa, Kazuya Ishimura. σ-Delocalization between Non-bonded Selenium Atoms on Multiply Se-substituted Benzenes. Chemistry Letters. 2023. 52. 2. 97-99
more...
MISC (4):
  • Kazuma Yanai, Kazuya Ishimura, Jun-ya Hasegawa. Quantum mechanical molecular interactions for calculating excitation energy in molecular environments: A first-order interacting space approach. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2015. 249
  • Masashi Noda, Kazuya Ishimura, Katsuyuki Nobusada. Program Package of Photoinduced Electron Dynamics: GCEED (Grid-based Coupled Electron and Electromagnetic field Dynamics). JPS Conference Proceedings. 2015. 5. 011010
  • 志賀基之, SERGIO Ruiz-Barragan, SERGIO Ruiz-Barragan, 石村和也. 第一原理分子動力学計算の階層的並列化. 分子科学討論会講演プログラム&要旨(Web). 2015. 9th
  • Kazuya Ishimura. Development of massively parallel quantum chemistry program SMASH. AIP Conference Proceedings. 2015. 1702. 090053
Books (2):
  • The Art of High Performance Computing for Computational Science, Vol. 2
    Springer 2019 ISBN:9789811398018
  • 計算科学のためのHPC技術
    大阪大学出版会 2017 ISBN:9784872595864
Works (1):
  • Massively parallel software for quantum chemistry calculations SMASH
    Kazuya Ishimura 2014 - 現在
Education (2):
  • 2000 - 2002 Kyoto University Graduate School of Engineering Department of Synthetic Chemistry and Biological Chemistry
  • 1996 - 2000 Kyoto University Faculty of Engineering School of Industrial Chemistry
Professional career (1):
  • 博士(理学) (総合研究大学院大学)
Work history (5):
  • 2019/04 - 現在 X-Ability Co., Ltd. Research Fellow
  • 2012/04 - 2019/03 Institute for Molecular Science Postdoctral Fellow
  • 2010/05 - 2012/03 Kobe University Graduate School of System Informatics Department of Computational Science Assistant Professor
  • 2008/04 - 2010/04 Toyota Central R&D Labs., Inc.
  • 2002/04 - 2008/03 Institute for Molecular Science Department of Theoretical and Computational Molecular Science Technical Staff
Awards (3):
  • 2013 - 第4回CMSI研究会 若手奨励賞 ナノサイズ分子の新規構造及び機能の探索 -大規模並列計算プログラムの効率的な開発-
  • 2007 - 3rd APCTCC Best Poster Award New parallel algorithm for MP2 energy and gradient calculations and its applications
  • 2005 - WATOC 2005 Best Postar A new parallel second-order Møller-Plesset algorithm
Association Membership(s) (3):
理論化学会 ,  分子科学会 ,  日本化学会
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