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Nakano Kosuke  中野 晃佑

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NAKANO Kosuke  中野 晃佑

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Researcher Number 50870903
Other IDs
Affiliation (Current) 2025: 国立研究開発法人物質・材料研究機構, マテリアル基盤研究センター, 独立研究者
2025: 国立研究開発法人理化学研究所, 創発物性科学研究センター, 研究員
Affiliation (based on the past Project Information) *help 2025: 国立研究開発法人物質・材料研究機構, マテリアル基盤研究センター, 独立研究者
2023: 国立研究開発法人物質・材料研究機構, マテリアル基盤研究センター, 独立研究者
2022 – 2023: 国立研究開発法人物質・材料研究機構, 統合型材料開発・情報基盤部門, 独立研究者
2021: 北陸先端科学技術大学院大学, 先端科学技術研究科, 助教
Review Section/Research Field
Principal Investigator
Basic Section 13010:Mathematical physics and fundamental theory of condensed matter physics-related / Basic Section 60100:Computational science-related
Except Principal Investigator
Basic Section 13010:Mathematical physics and fundamental theory of condensed matter physics-related
Keywords
Principal Investigator
第一原理計算 / ファンデルワールス力 / 量子モンテカルロ法 / ニューラルネットワークポテンシャル / 密度汎関数法 / 第一原理計算量子モンテカルロ法 / 電子状態計算 / 第一原理電子状態計算 / 機械学習力場 / 第一原理量子モンテカルロ法 … More
Except Principal Investigator
… More 電子相関 / 層状物質 / フォノン / 拡散モンテカルロ / 第一原理 Less
  • Research Projects

    (3 results)
  • Research Products

    (41 results)
  • Co-Researchers

    (3 People)
  •  Is the method that can accurately describe intermolecular interactions quantum chemistry calculations or quantum Monte Carlo calculations?Principal Investigator

    • Principal Investigator
      中野 晃佑
    • Project Period (FY)
      2025 – 2027
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Review Section
      Basic Section 13010:Mathematical physics and fundamental theory of condensed matter physics-related
    • Research Institution
      National Institute for Materials Science
  •  Ab initio DMC-phonon calculations applied to layered materials

    • Principal Investigator
      Maezono Ryo
    • Project Period (FY)
      2021 – 2023
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Review Section
      Basic Section 13010:Mathematical physics and fundamental theory of condensed matter physics-related
    • Research Institution
      Japan Advanced Institute of Science and Technology
  •  Development of Neural Network Force Fields with Innovative Reliability and Their Application to 2D Layered MaterialsPrincipal Investigator

    • Principal Investigator
      NAKANO Kosuke
    • Project Period (FY)
      2021 – 2023
    • Research Category
      Grant-in-Aid for Early-Career Scientists
    • Review Section
      Basic Section 60100:Computational science-related
    • Research Institution
      National Institute for Materials Science
      Japan Advanced Institute of Science and Technology

All 2024 2023 2022 2021

All Journal Article Presentation

  • [Journal Article] Key Role of Metal-to-Metal Charge Transfer Transition between Mo<sup>6+</sup> and Bi<sup>3+</sup> for Enhancement in NIR Luminescence of Gd<sub>2</sub>MoO<sub>6</sub>:Bi,Yb Nanophosphor2024

    • Author(s)
      Hangai Taisei、Hasegawa Takuya、Xu Jian、Nakanishi Takayuki、Takeda Takashi、Nakano Kosuke、Hongo Kenta、Maezono Ryo、Goto Tomoyo、Sato Yasushi、Okawa Ayahisa、Yin Shu
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 128 Issue: 8 Pages: 3351-3360

    • DOI

      10.1021/acs.jpcc.3c07501

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-22K05264, KAKENHI-PROJECT-21K03400, KAKENHI-PROJECT-21H01630
  • [Journal Article] Efficient calculation of unbiased atomic forces in ab initio variational Monte Carlo2024

    • Author(s)
      Kousuke Nakano, Michele Casula, and Giacomo Tenti
    • Journal Title

      Phys. Rev. B

      Volume: In press

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K17752
  • [Journal Article] High-pressure Phases of BaCN2 Explored Using a Genetic Algorithm2023

    • Author(s)
      Song Peng、Khawaguch Mari、Masubuchi Yuji、Oqmhula Kenji、Nakano Kousuke、Maezono Ryo、Hongo Kenta
    • Journal Title

      Computational Materials Science

      Volume: 226 Pages: 112202-112202

    • DOI

      10.1016/j.commatsci.2023.112202

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-19K05029, KAKENHI-PROJECT-21K03400, KAKENHI-PROJECT-22KJ1481, KAKENHI-PLANNED-22H05146, KAKENHI-PUBLICLY-23H04611
  • [Journal Article] Towards chemical accuracy using the Jastrow correlated antisymmetrized geminal power ansatz2023

    • Author(s)
      Raghav Abhishek、Maezono Ryo、Hongo Kenta、Sorella Sandro、Nakano Kousuke
    • Journal Title

      Journal of Chemical Theory and Computation

      Volume: 19 Issue: 8 Pages: 2222-2229

    • DOI

      10.1021/acs.jctc.2c01141

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-19K05029, KAKENHI-PROJECT-21K03400, KAKENHI-PROJECT-21K17752, KAKENHI-PLANNED-22H05146
  • [Journal Article] TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods2023

    • Author(s)
      Nakano Kousuke、Kohulak Oto、Raghav Abhishek、Casula Michele、Sorella Sandro
    • Journal Title

      The Journal of Chemical Physics

      Volume: 159 Issue: 22 Pages: 224801-224801

    • DOI

      10.1063/5.0179003

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K17752
  • [Journal Article] Evolutionary Algorithm Directed Synthesis of Mixed Anion Compounds LaF2X (X = Br, I) and LaFI22023

    • Author(s)
      Kato Daichi、Song Peng、Ubukata Hiroki、Taguro Haruki、Tassel Cedric、Miyazaki Kohei、Abe Takeshi、Nakano Kousuke、Hongo Kenta、Maezono Ryo、Kageyama Hiroshi
    • Journal Title

      Angewandte Chemie International Edition

      Volume: 62 Issue: 30

    • DOI

      10.1002/anie.202301416

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-19K05029, KAKENHI-PROJECT-21K03400, KAKENHI-PLANNED-22H05146
  • [Journal Article] Quantum phase diagram of high-pressure hydrogen2023

    • Author(s)
      Monacelli Lorenzo、Casula Michele、Nakano Kousuke、Sorella Sandro、Mauri Francesco
    • Journal Title

      Nature Physics

      Volume: 19 Issue: 6 Pages: 845-850

    • DOI

      10.1038/s41567-023-01960-5

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K17752
  • [Journal Article] The Systematic Study on the Stability and Superconductivity of Y‐Mg‐H Compounds under High Pressure2022

    • Author(s)
      Song Peng、Hou Zhufeng、de Castro Pedro Baptista、Nakano Kousuke、Takano Yoshihiko、Maezono Ryo、Hongo Kenta
    • Journal Title

      Advanced Theory and Simulations

      Volume: 5 Issue: 3 Pages: 2100364-2100364

    • DOI

      10.1002/adts.202100364

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-16H06439, KAKENHI-PUBLICLY-19H04692, KAKENHI-PUBLICLY-19H05169, KAKENHI-PROJECT-21K03400, KAKENHI-PROJECT-19K05029, KAKENHI-PROJECT-21K17752, KAKENHI-PROJECT-22KJ1481
  • [Journal Article] Diffusion Monte Carlo evaluation of disiloxane linearisation barrier2022

    • Author(s)
      Hanindriyo Adie Tri、Yadav Amit Kumar Singh、Ichibha Tom、Maezono Ryo、Nakano Kousuke、Hongo Kenta
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 24 Issue: 6 Pages: 3761-3769

    • DOI

      10.1039/d1cp01471d

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-16H06439, KAKENHI-PUBLICLY-19H04692, KAKENHI-PUBLICLY-19H05169, KAKENHI-PROJECT-21K03400, KAKENHI-PROJECT-19K05029, KAKENHI-PROJECT-21K17752
  • [Journal Article] Feature Space of XRD Patterns Constructed by an Autoencoder2022

    • Author(s)
      Utimula Keishu、Yano Masao、Kimoto Hiroyuki、Hongo Kenta、Nakano Kousuke、Maezono Ryo
    • Journal Title

      Advanced Theory and Simulations

      Volume: 6 Issue: 2 Pages: 2200613-2200613

    • DOI

      10.1002/adts.202200613

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-19K05029, KAKENHI-PROJECT-21K03400, KAKENHI-PLANNED-22H05146
  • [Journal Article] Ab-initio-based interface modeling and statistical analysis for estimate of the water contact angle on a metallic Cu(111) surface2022

    • Author(s)
      Murono Takahiro、Hongo Kenta、Nakano Kousuke、Maezono Ryo
    • Journal Title

      Surfaces and Interfaces

      Volume: 34 Pages: 102342-102342

    • DOI

      10.1016/j.surfin.2022.102342

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-19K05029, KAKENHI-PROJECT-21K03400
  • [Journal Article] High-pressure behavior of tetragonal barium carbodiimide, BaNCN2022

    • Author(s)
      Masubuchi Yuji、Miyazaki Suzuka、Song Peng、Yamamoto Takafumi、Nakano Kosuke、Hongo Kenta、Maezono Ryo
    • Journal Title

      Journal of Alloys and Compounds

      Volume: 918 Pages: 165632-165632

    • DOI

      10.1016/j.jallcom.2022.165632

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-21K03400, KAKENHI-PROJECT-22KJ1481
  • [Journal Article] High-pressure hydrogen by machine learning and quantum Monte Carlo2022

    • Author(s)
      Tirelli Andrea、Tenti Giacomo、Nakano Kousuke、Sorella Sandro
    • Journal Title

      Physical Review B

      Volume: 106 Issue: 4

    • DOI

      10.1103/physrevb.106.l041105

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K17752
  • [Journal Article] Potential high-Tc superconductivity in YCeH and LaCeH under pressure2022

    • Author(s)
      Song P.、Hou Z.、Nakano K.、Hongo K.、Maezono R.
    • Journal Title

      Materials Today Physics

      Volume: 28 Pages: 100873-100873

    • DOI

      10.1016/j.mtphys.2022.100873

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K03400, KAKENHI-PROJECT-22KJ1481, KAKENHI-PLANNED-22H05146
  • [Journal Article] High-Pressure Mg-Sc-H Phase Diagram and Its Superconductivity from First-Principles Calculations2022

    • Author(s)
      Song Peng、Hou Zhufeng、Baptista de Castro Pedro、Nakano Kousuke、Hongo Kenta、Takano Yoshihiko、Maezono Ryo
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 126 Issue: 5 Pages: 2747-2755

    • DOI

      10.1021/acs.jpcc.1c08743

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-16H06439, KAKENHI-PUBLICLY-19H04692, KAKENHI-PUBLICLY-19H05169, KAKENHI-PROJECT-21K03400, KAKENHI-PROJECT-19K05029, KAKENHI-PROJECT-22KJ1481
  • [Journal Article] Ab initio molecular dynamics simulation of structural and elastic properties of SiO2-P2O5-Al2O3 glass2022

    • Author(s)
      Qian Yixiao、Song Bin、Jin Junteng、Prayogo Genki I.、Utimula Keishu、Nakano Kousuke、Maezono Ryo、Hongo Kenta、Zhao Gaoling
    • Journal Title

      Journal of the American Ceramic Society

      Volume: 105 Issue: 11 Pages: 6604-6615

    • DOI

      10.1111/jace.18614

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-19K05029, KAKENHI-PROJECT-21K03400
  • [Journal Article] Computational Design to Suppress Thermal Runaway of Li-Ion Batteries via Atomic Substitutions to Cathode Materials2022

    • Author(s)
      Yoshimoto Yuki、Toma Takahiro、Hongo Kenta、Nakano Kousuke、Maezono Ryo
    • Journal Title

      ACS Applied Materials & Interfaces

      Volume: 14 Issue: 20 Pages: 23355-23363

    • DOI

      10.1021/acsami.2c01607

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-19K05029, KAKENHI-PROJECT-21K03400
  • [Journal Article] SHRY:Application of Canonical Augmentation to the Atomic Substitution Problem2022

    • Author(s)
      Prayogo Genki Imam、Tirelli Andrea、Utimula Keishu、Hongo Kenta、Maezono Ryo、Nakano Kousuke
    • Journal Title

      Journal of Chemical Information and Modeling

      Volume: 62 Issue: 12 Pages: 2909-2915

    • DOI

      10.1021/acs.jcim.2c00389

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-19K05029, KAKENHI-PROJECT-21K03400, KAKENHI-PROJECT-21K17752
  • [Journal Article] Diffusion Monte Carlo Study on Relative Stabilities of Boron Nitride Polymorphs2022

    • Author(s)
      Nikaido Yutaka、Ichibha Tom、Hongo Kenta、Reboredo Fernando A.、Kumar K. C. Hari、Mahadevan Priya、Maezono Ryo、Nakano Kousuke
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 126 Issue: 13 Pages: 6000-6007

    • DOI

      10.1021/acs.jpcc.1c10943

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-19H04692, KAKENHI-PROJECT-21K03400, KAKENHI-PROJECT-19K05029, KAKENHI-PROJECT-21K17752
  • [Journal Article] Space-warp coordinate transformation for efficient ionic force calculations in quantum Monte Carlo2022

    • Author(s)
      Nakano Kousuke、Raghav Abhishek、Sorella Sandro
    • Journal Title

      The Journal of Chemical Physics

      Volume: 156 Issue: 3 Pages: 034101-034101

    • DOI

      10.1063/5.0076302

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K17752
  • [Journal Article] High-Tc Superconducting Hydrides Formed by LaH24 and YH24 Cage Structures as Basic Blocks2021

    • Author(s)
      Song Peng、Hou Zhufeng、Castro Pedro Baptista de、Nakano Kousuke、Hongo Kenta、Takano Yoshihiko、Maezono Ryo
    • Journal Title

      Chemistry of Materials

      Volume: 33 Issue: 24 Pages: 9501-9507

    • DOI

      10.1021/acs.chemmater.1c02371

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-16H06439, KAKENHI-PUBLICLY-19H04692, KAKENHI-PUBLICLY-19H05169, KAKENHI-PROJECT-19K05029, KAKENHI-PROJECT-21K03400
  • [Journal Article] High-Throughput Evaluation of Discharge Profiles of Nickel Substitution in LiNiO2 by Ab Initio Calculations2021

    • Author(s)
      Yoshio Satoshi、Hongo Kenta、Nakano Kousuke、Maezono Ryo
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 125 Issue: 27 Pages: 14517-14524

    • DOI

      10.1021/acs.jpcc.0c11589

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-16H06439, KAKENHI-PUBLICLY-19H04692, KAKENHI-PUBLICLY-19H05169, KAKENHI-PROJECT-19K05029, KAKENHI-PROJECT-21K03400
  • [Presentation] TurboGenius: 第一原理量子モンテカルロ法のハイスループット計算のためのPythonパッケージ2024

    • Author(s)
      中野 晃佑, Oto Kohulak, Abhishek Raghav, Michele Casula, Sandro Sorella
    • Organizer
      日本物理学会 2024年春季大会
    • Data Source
      KAKENHI-PROJECT-21K17752
  • [Presentation] Towards the Applications of Ab Initio Quantum Monte Carlo in Materials Science.2024

    • Author(s)
      NAKANO, Kosuke
    • Organizer
      Bridging Quantum Monte Carlo and High-Performance Simulations
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K17752
  • [Presentation] Application of canonical augmentation to the atomic substitution problem2022

    • Author(s)
      G. I. Prayogo, A. Tirelli, K. Utimula, K. Hongo, R. Maezono, K. Nakano
    • Organizer
      2022年第69回応用物理学会春季学術講演会
    • Data Source
      KAKENHI-PROJECT-21K03400
  • [Presentation] Application of canonical augmentation to disordered crystal structure generation2022

    • Author(s)
      G. I. Prayogo, A. Tirelli, K. Utimula, K. Hongo, R. Maezono, K. Nakano
    • Organizer
      日本物理学会 第77回年次大会(2022年)
    • Data Source
      KAKENHI-PROJECT-21K03400
  • [Presentation] Benchmark calculations for binding energies of the “G2 set” of molecules using TurboRVB quantum Monte Carlo package2022

    • Author(s)
      A. Raghav, R. Maezono, K. Hongo, S. Sorella, K. Nakano
    • Organizer
      ACS Spring Meeting 2022,online
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K03400
  • [Presentation] クラスレート型カゴ状構造を持つ三元水素化物高温超伝導体2022

    • Author(s)
      宋鵬, 中野晃佑, 本郷研太, 前園涼
    • Organizer
      日本物理学会 第77回年次大会(2022年)
    • Data Source
      KAKENHI-PROJECT-21K03400
  • [Presentation] Benchmark binding energy calculations for molecules in the G2 set: Towards chemical accuracy by the Jastrow correlated Antisymmetrized Geminal Po (JAGP)2022

    • Author(s)
      A. Raghav, R. Maezono, K. Hongo, S. Sorella, K. Nakano
    • Organizer
      日本物理学会 第77回年次大会(2022年)
    • Data Source
      KAKENHI-PROJECT-21K03400
  • [Presentation] The systematic study on the stability and superconductivity of Y-Mg-H compounds under high pressure2022

    • Author(s)
      H. Sou, K. Nakano, R. Maezono, K. Hongo
    • Organizer
      2022年第69回応用物理学会春季学術講演会
    • Data Source
      KAKENHI-PROJECT-21K03400
  • [Presentation] Benchmark all-electron ab initio quantum Monte Carlo calculations with Antisymmetrized Geminal Power (AGP) and Pfaffian Ansatz for G2-set molecules using TurboRVB package2022

    • Author(s)
      A. Raghav, R. Maezono, K. Hongo, S. Sorella, K. Nakano
    • Organizer
      APS March Meeting 2022,online
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K03400
  • [Presentation] Space warp coordinate transformation for efficient ionic force calculations in quantum Monte Carlo2022

    • Author(s)
      K. Nakano
    • Organizer
      APS March Meeting 2022,online
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K03400
  • [Presentation] TurboGenius: A python suite for implementing workflows with ab initio quantum Monte Carlo code TurboRVB2022

    • Author(s)
      Kosuke Nakano
    • Organizer
      PSI-K CONFERENCE 2022
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K17752
  • [Presentation] Ab initio binding energy calculations for molecules in the G2 set: Towards chemical accuracy by the Jastrow correlated Antisymmetrized Geminal Power (JAGP)2022

    • Author(s)
      A. Raghav, R. Maezono, K. Hongo, S. Sorella, K. Nakano
    • Organizer
      2022年第69回応用物理学会春季学術講演会
    • Data Source
      KAKENHI-PROJECT-21K03400
  • [Presentation] Diffusion Monte Carlo Study on Relative Stabilities of Boron Nitride Polymorphs2022

    • Author(s)
      Y. Nikaidou, T. Ichiba, K. Hongo, F. A Reboredo, R. Maezono, K. Nakano
    • Organizer
      APS March Meeting 2022,online
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K03400
  • [Presentation] 第一原理量子モンテカルロ計算コード「TurboRVB」の開発概況と応用事例2021

    • Author(s)
      中野 晃佑
    • Organizer
      東京大学 物性研究所 物質設計評価施設(MDCL)セミナー
    • Invited
    • Data Source
      KAKENHI-PROJECT-21K17752
  • [Presentation] 第一原理量子モンテカルロ計算コード「TurboRVB」の開発概況と応用事例2021

    • Author(s)
      中野晃佑
    • Organizer
      東京大学 物性研究所 物質設計評価施設(MDCL)セミナー
    • Invited
    • Data Source
      KAKENHI-PROJECT-21K03400
  • [Presentation] Turbo-Genius: A python-based workflow system for quantum Monte Carlo package2021

    • Author(s)
      K. Nakano
    • Organizer
      PACIFICHEM 2021, online
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K03400
  • [Presentation] Turbo-Genius: A python-based workflow system for quantum Monte Carlo package2021

    • Author(s)
      Kosuke Nakano
    • Organizer
      Pacifichem 2021
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K17752
  • [Presentation] Recent progress in the ab-initio quantum Monte Carlo code, TurboRVB2021

    • Author(s)
      Kosuke Nakano
    • Organizer
      The 24th International Annual Symposium on Computational Science and Engineering (ANSCSE24)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K17752
  • [Presentation] Recent progress in the ab-initio quantum Monte Carlo code, TurboRVB2021

    • Author(s)
      K. Nakano
    • Organizer
      The 24th International Annual Symposium on Computational Science and Engineering (ANSCSE24)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K03400
  • 1.  Maezono Ryo (40354146)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 12 results
  • 2.  本郷 研太 (60405040)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 24 results
  • 3.  長谷川 拓哉
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results

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