- Address
- 305-0047 茨城県つくば市千現1-2-1 [アクセス]
[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
2024
- 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
2023
- 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
- 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
- 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
- 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
- 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
- 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
2024
- 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
- 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
- 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
- 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
- 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