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中野 晃佑

中野 晃佑 (NAKANO, Kosuke) 0000-0001-7756-4355

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305-0047 茨城県つくば市千現1-2-1 [アクセス]
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[論文] | [書籍] | [会議録] | [口頭発表] | [その他の文献] | [公開特許出願]

論文 TSV

2026
  1. Cesare Cozza, Kousuke Nakano, Saburo Howard, Hao Xie, Ravit Helled, Guglielmo Mazzola. Denser hydrogen inferred from first-principles simulations challenges Jupiter’s interior models. Physical Review Research. 8 [1] (2026) 013089 10.1103/yrk6-ryps Open Access
2025
  1. Kousuke Nakano, Sandro Sorella, Michele Casula. Load-balanced diffusion Monte Carlo method with lattice regularization. The Journal of Chemical Physics. 163 [19] (2025) 194117 10.1063/5.0296986 Open Access
  2. Giacomo Tenti, Kousuke Nakano, Michele Casula. Self-Consistency Error Correction for Accurate Machine Learning Potentials from Variational Monte Carlo. Journal of Chemical Theory and Computation. 21 [19] (2025) 9335-9346 10.1021/acs.jctc.5c00715 Open Access
  3. Flaviano Della Pia, Benjamin X. Shi, Yasmine S. Al-Hamdani, Dario Alfé, Tyler A. Anderson, Matteo Barborini, Anouar Benali, Michele Casula, Neil D. Drummond, Matúš Dubecký, Claudia Filippi, Paul R. C. Kent, Jaron T. Krogel, Pablo López Ríos, Arne Lüchow, Ye Luo, Angelos Michaelides, Lubos Mitas, Kousuke Nakano, Richard J. Needs, Manolo C. Per, Anthony Scemama, Jil Schultze, Ravindra Shinde, Emiel Slootman, Sandro Sorella, Alexandre Tkatchenko, Mike Towler, C. J. Umrigar, Lucas K. Wagner, William A. Wheeler, Haihan Zhou, Andrea Zen. Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer. The Journal of Chemical Physics. 163 [10] (2025) 104110 10.1063/5.0272974 Open Access
  4. Giacomo Tenti, Bastian Jäckl, Kousuke Nakano, Matthias Rupp, Michele Casula. Hydrogen liquid-liquid transition from first principles and machine learning. Physical Review B. 112 [10] (2025) 104208 10.1103/pbrk-3zgd Open Access
  5. Kousuke Nakano, Benjamin X. Shi, Dario Alfè, Andrea Zen. Basis Set Incompleteness Errors in Fixed-Node Diffusion Monte Carlo Calculations on Noncovalent Interactions. Journal of Chemical Theory and Computation. 21 [9] (2025) 4426-4434 10.1021/acs.jctc.4c01631 Open Access
2024
  1. Giacomo Tenti, Kousuke Nakano, Andrea Tirelli, Sandro Sorella, Michele Casula. Principal deuterium Hugoniot via quantum Monte Carlo and Δ -learning. Physical Review B. 110 [4] (2024) L041107 10.1103/physrevb.110.l041107 Open Access
  2. Kousuke Nakano, Sandro Sorella, Dario Alfè, Andrea Zen. Beyond Single-Reference Fixed-Node Approximation in Ab Initio Diffusion Monte Carlo Using Antisymmetrized Geminal Power Applied to Systems with Hundreds of Electrons. Journal of Chemical Theory and Computation. 20 [11] (2024) 4591-4604 10.1021/acs.jctc.4c00139 Open Access
  3. Kousuke Nakano, Michele Casula, Giacomo Tenti. Efficient calculation of unbiased atomic forces in ab initio variational Monte Carlo. Physical Review B. 109 [20] (2024) 205151 10.1103/physrevb.109.205151 Open Access
  4. Taisei Hangai, Takuya Hasegawa, Jian Xu, Takayuki Nakanishi, Takashi Takeda, Kosuke Nakano, Kenta Hongo, Ryo Maezono, Tomoyo Goto, Yasushi Sato, Ayahisa Okawa, Shu Yin. Key Role of Metal-to-Metal Charge Transfer Transition between Mo6+ and Bi3+ for Enhancement in NIR Luminescence of Gd2MoO6:Bi,Yb Nanophosphor. The Journal of Physical Chemistry C. 128 [8] (2024) 3351-3360 10.1021/acs.jpcc.3c07501 Open Access
2023
  1. Kousuke Nakano, Oto Kohulák, Abhishek Raghav, Michele Casula, Sandro Sorella. TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods. The Journal of Chemical Physics. 159 [22] (2023) 224801 10.1063/5.0179003 Open Access
  2. Daichi Kato, Peng Song, Hiroki Ubukata, Haruki Taguro, Cédric Tassel, Kohei Miyazaki, Takeshi Abe, Kousuke Nakano, Kenta Hongo, Ryo Maezono, Hiroshi Kageyama. Evolutionary Algorithm Directed Synthesis of Mixed Anion Compounds LaF2X (X=Br, I) and LaFI2. Angewandte Chemie International Edition. 62 [30] (2023) e2023014 10.1002/anie.202301416 Open Access
  3. 前園 涼, ゲンキ プラヨゴ, 宋 鵬, 市場 友宏, 内村 慶舟, 本郷 研太, 中野 晃佑. データサイエンスを活用した結晶構造の分類、識別、予測. 日本結晶学会誌. 65 [2] (2023) 122-127 10.5940/jcrsj.65.122 Open Access
  4. Evgeny Posenitskiy, Vijay Gopal Chilkuri, Abdallah Ammar, Michał Hapka, Katarzyna Pernal, Ravindra Shinde, Edgar Josué Landinez Borda, Claudia Filippi, Kosuke Nakano, Otto Kohulák, Sandro Sorella, Pablo de Oliveira Castro, William Jalby, Pablo López Ríos, Ali Alavi, Anthony Scemama. TREXIO: A file format and library for quantum chemistry. The Journal of Chemical Physics. 158 [17] (2023) 174801 10.1063/5.0148161 Open Access
  5. Abhishek Raghav, Ryo Maezono, Kenta Hongo, Sandro Sorella, Kousuke Nakano. Toward Chemical Accuracy Using the Jastrow Correlated Antisymmetrized Geminal Power Ansatz. Journal of Chemical Theory and Computation. 19 [8] (2023) 2222-2229 10.1021/acs.jctc.2c01141 Open Access
  6. Andrea Tirelli, Kousuke Nakano. Topological Data Analysis for Revealing the Structural Origin of Density Anomalies in Silica Glass. The Journal of Physical Chemistry B. 127 [14] (2023) 3302-3311 10.1021/acs.jpcb.2c09009
2022
  1. Peng Song, Zhufeng Hou, Pedro Baptista de Castro, Kousuke Nakano, Kenta Hongo, Yoshihiko Takano, Ryo Maezono. High-Pressure Mg–Sc–H Phase Diagram and Its Superconductivity from First-Principles Calculations. The Journal of Physical Chemistry C. 126 [5] (2022) 2747-2755 10.1021/acs.jpcc.1c08743

書籍 TSV

会議録 TSV

口頭発表 TSV

2026
  1. NAKANO, Kosuke. Ab Initio Quantum Monte Carlo Studies of High-Pressure Hydrogen and Hydrides with Machine-Learning Potentials. CEMS Topical Meeting on Recent Trends in Superconductivity. 2026 招待講演
  2. NAKANO, Kosuke. jQMC: A new ab-initio Quantum Monte Carlo package leveraging the JAX ecosystem. International Workshop on Massively Parallel Programming for Quantum Chemistry and Physics (MPQCP 2026). 2026 招待講演
2025
  1. NAKANO, Kosuke. Development of Algorithms and Software for Ab Initio Quantum Monte Carlo Applications in Materials Science. Pacifichem 2025. 2025 招待講演
  2. NAKANO, Kosuke. Algorithms and Software for ab initio QMC to Generate Machine-Learning-Ready Force Data. The 26th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-26). 2025 招待講演
  3. 中野 晃佑. 第一原理拡散量子モンテカルロ法における節の変分最適化手法の応用. 第12回成果報告会／第8回HPCIコンソーシアムシンポジウム. 2025 招待講演
  4. 中野 晃佑. 第一原理量子モンテカルロ法による高圧水素の高精度な相図計算. 第12回成果報告会／第8回HPCIコンソーシアムシンポジウム. 2025
  5. 中野 晃佑, Michele Casula. JAXを用いて実装された新しい第一原理量子モンテカルロ法の計算パッケージ. 日本物理学会 第80回年次大会 (2025年). 2025
  6. NAKANO, Kosuke, Giacomo Tenti, Michele Casula. Recent Advances in Quantum Monte Carlo: Unbiased Force Estimation for Machine-Learning Potentials and GPU-Accelerated Implementation. PSI-K CONFERENCE. 2025
  7. NAKANO, Kosuke, Giacomo Tenti, Abhishek Raghav, 有田亮太郎, Michele Casula. Ab Initio Quantum Monte Carlo Studies of High-Pressure Hydrogen and Hydrides with Machine-Learning Potentials. CDRTS 2025 (International Workshop: Challenges in Designing Room Temperature Superconductors). 2025 招待講演
  8. NAKANO, Kosuke. A New Ab Initio Quantum Monte Carlo Package Implemented with JAX. Open software for neural wavefunctions. 2025 招待講演
  9. NAKANO, Kosuke. Recent developments and Future Perspectives of ab initio Quantum Monte Carlo Methods. Third Workshop on Density Functional Theory: Fundamentals, Developments, and Applications (DFT2025). 2025 招待講演
  10. 中野 晃佑. 非共有結合性の相互作用計算における第一原理拡散量子モンテカルロ法における基底関数不完全性誤差. 日本物理学会 2025年春季大会. 2025
  11. 中野 晃佑. 第一原理量子モンテカルロ法のコード開発と応用展開: 最近の進展と将来の展望について. 日本物理学会 2025年春季大会. 2025 招待講演
2024
  1. 中野 晃佑, Michele Casula, Giacomo Tenti. 第一原理変分量子モンテカルロ法におけるバイアスのない力の計算手法の発見. 日本物理学会 第79回年次大会（2024年）. 2024
  2. 中野 晃佑, Oto Kohul\'{a}k, Abhishek Raghav, Michele Casula, Sandro Sorella. 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. 日本物理学会 2024年春季大会. 2024
  3. 中野 晃佑, Sandro Sorella, Dario Alfe, Andrea Zen. 単参照の節固定近似を超える第一原理拡散量子モンテカルロ法の開発と応用. 日本物理学会 2024年春季大会. 2024
  4. NAKANO, Kosuke. Towards the Applications of Ab Initio Quantum Monte Carlo in Materials Science. Bridging Quantum Monte Carlo and High-Performance Simulations. 2024 招待講演
2023
  1. 中野 晃佑. 第一原理量子モンテカルロ法と機械学習力場を活用した極限物質の物性解明. 第10回「富岳」を中核とするHPCIシステム利用研究課題 成果報告会. 2023
  2. NAKANO, Kosuke. TurboRVB: past, present and future. Workshop on Quantum Monte Carlo Methods at Work for Describing Novel States of Matter | (smr 3853). 2023 招待講演
  3. NAKANO, Kosuke. Recent progress in high-throughput calculations using TurboRVB. Telluride Science Workshop on Stochastic Electronic Structure Methods. 2023

その他の文献 TSV

2024
  1. 中野 晃佑. 第一原理量子モンテカルロ計算の現状と材料科学分野での応用展望. CERAMICS JAPAN. 59 [11] (2024) 771-774 Open Access

公開特許出願 TSV

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