publication_type publication_year number author title journal_title volume_number issue_number start_page end_page doi reported_at
Paper 2026 1 Kousuke Nakano, Stefano Battaglia, Jürg Hutter "Fast evaluation of unbiased atomic forces in
ab initio
variational Monte Carlo via the Lagrangian technique" The Journal of Chemical Physics 164 12 124113-1 124113-20 https://doi.org/10.1063/5.0311160 2026-04-11 09:37:01 +0900
Paper 2026 2 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 013089-1 013089-26 https://doi.org/10.1103/yrk6-ryps 2026-04-11 09:37:01 +0900
Paper 2025 1 Kousuke Nakano, Sandro Sorella, Michele Casula Load-balanced diffusion Monte Carlo method with lattice regularization The Journal of Chemical Physics 163 19 194117-1 194117-16 https://doi.org/10.1063/5.0296986 2026-04-11 09:37:01 +0900
Paper 2025 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 9335 9346 https://doi.org/10.1021/acs.jctc.5c00715 2026-04-11 09:37:01 +0900
Paper 2025 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 104110-1 104110-12 https://doi.org/10.1063/5.0272974 2026-04-11 09:37:01 +0900
Paper 2025 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 104208-1 104208-8 https://doi.org/10.1103/pbrk-3zgd 2026-04-11 09:37:01 +0900
Paper 2025 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 4426 4434 https://doi.org/10.1021/acs.jctc.4c01631 2026-04-11 09:37:01 +0900
Paper 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 L041107-1 L041107-7 https://doi.org/10.1103/physrevb.110.l041107 2026-04-11 09:37:01 +0900
Paper 2024 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 4591 4604 https://doi.org/10.1021/acs.jctc.4c00139 2026-04-11 09:37:01 +0900
Paper 2024 3 Kousuke Nakano, Michele Casula, Giacomo Tenti "Efficient calculation of unbiased atomic forces in
ab initio
variational Monte Carlo" Physical Review B 109 20 205151-1 205151-7 https://doi.org/10.1103/physrevb.109.205151 2026-04-11 09:37:01 +0900
Paper 2024 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 3351 3360 https://doi.org/10.1021/acs.jpcc.3c07501 2026-04-11 09:37:01 +0900
Paper 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 https://doi.org/10.1063/5.0179003 2026-04-11 09:37:01 +0900
Paper 2023 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 https://doi.org/10.1002/anie.202301416 2026-04-11 09:37:01 +0900
Paper 2023 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 2 122 127 https://doi.org/10.5940/jcrsj.65.122 2026-04-11 09:37:01 +0900
Paper 2023 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 174801-1 174801-11 https://doi.org/10.1063/5.0148161 2026-04-11 09:37:01 +0900
Paper 2023 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 2222 2229 https://doi.org/10.1021/acs.jctc.2c01141 2026-04-11 09:37:01 +0900
Paper 2023 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 3302 3311 https://doi.org/10.1021/acs.jpcb.2c09009 2026-04-11 09:37:01 +0900
Paper 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 2747 2755 https://doi.org/10.1021/acs.jpcc.1c08743 2026-04-11 09:37:01 +0900