16 件のレコードが見つかりました。

124113_1_5.0311160.pdf
Fast evaluation of unbiased atomic forces in ab initio variational Monte Carlo via the Lagrangian technique
ジャーナル論文
著者
Kousuke Nakano (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Stefano Battaglia (author) (この著者で検索)
;
Jürg Hutter (author) (この著者で検索)
キーワード
ab initio Quantum Monte Carlo
刊行年月日
2026-03-28
更新時刻
2026-04-02 10:26:04 +0900
yrk6-ryps.pdf
Denser hydrogen inferred from first-principles simulations challenges Jupiter’s interior models
ジャーナル論文
著者
Cesare Cozza (author) (この著者で検索)
;
Kousuke Nakano (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Saburo Howard (author) (この著者で検索)
;
Hao Xie (author) (この著者で検索)
;
Ravit Helled (author) (この著者で検索)
;
Guglielmo Mazzola (author) (この著者で検索)
キーワード
Quantum Monte Carlo, Jupiter, Hydrogen, Equation of States
刊行年月日
2026-01-27
更新時刻
2026-03-02 16:30:07 +0900
データセット
Benchmark Dataset used in the paper "Fast Evaluation of Unbiased Atomic Forces in ab initio Variational Monte Carlo via the Lagrangian Technique"
データセット
著者
Kosuke Nakano (author) (この著者で検索)
National Institute for Materials Science (NIMS) Center for Basic Research on Materials (CBRM)
ORCID SAMURAI ;
Stefano Battaglia (author) (この著者で検索)
University of Zurich (UZH) Department of Chemistry
;
Jürg Hutter (author) (この著者で検索)
University of Zurich (UZH) Department of Chemistry
キーワード
Variational Monte Carlo, Atomic forces, rMD17
刊行年月日
更新時刻
2026-01-28 08:30:04 +0900
データセット
Hydrogen Equation of State with SCAN-VV10
データセット
著者
Cesare Cozza (author) (この著者で検索)
University of Zurich Department of Astrophysics
;
Kousuke Nakano (author) (この著者で検索)
National Institute for Materials Science (NIMS) Center for Basic Research on Materials
ORCID SAMURAI ;
Saburo Howard (author) (この著者で検索)
University of Zurich Department of Astrophysics
;
Hao Xie (author) (この著者で検索)
University of Zurich Department of Astrophysics
;
Ravit Helled (author) (この著者で検索)
University of Zurich Department of Astrophysics
;
Guglielmo Mazzola (author) (この著者で検索)
University of Zurich Department of Astrophysics
キーワード
Hydrogen, Equation of State, DFT, SCAN-VV10
刊行年月日
更新時刻
2026-01-20 08:34:18 +0900
194117_1_5.0296986.pdf
Load-balanced diffusion Monte Carlo method with lattice regularization
ジャーナル論文
著者
Kousuke Nakano (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Sandro Sorella (author) (この著者で検索)
;
Michele Casula (author) (この著者で検索)
キーワード
Quantum Monte Carlo, Variational Monte Carlo, Diffusion Monte Carlo, Diffusion Monte Carlo method with lattice regularization
刊行年月日
2025-11-21
更新時刻
2025-12-02 08:30:15 +0900
2504.20481v2.pdf
Self-Consistency Error Correction for Accurate Machine Learning Potentials from Variational Monte Carlo
ジャーナル論文
著者
Giacomo Tenti (author) (この著者で検索)
;
Kousuke Nakano (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Michele Casula (author) (この著者で検索)
キーワード
Quantum Monte Carlo, Variational Monte Carlo, Atomic forces
刊行年月日
2025-10-14
更新時刻
2025-12-02 08:30:12 +0900
2502.02447v2.pdf
Hydrogen liquid-liquid transition from first principles and machine learning
ジャーナル論文
著者
Giacomo Tenti (author) (この著者で検索)
;
Bastian Jäckl (author) (この著者で検索)
;
Kousuke Nakano (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Matthias Rupp (author) (この著者で検索)
;
Michele Casula (author) (この著者で検索)
キーワード
Machine learning potential, Hydrogen liquid-liquid transition
刊行年月日
2025-09-24
更新時刻
2025-12-02 08:30:10 +0900
basis-set-incompleteness-errors-in-fixed-node-diffusion-monte-carlo-calculations-on-noncovalent-interactions.pdf
Basis Set Incompleteness Errors in Fixed-Node Diffusion Monte Carlo Calculations on Noncovalent Interactions
ジャーナル論文
著者
Kousuke Nakano (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Benjamin X. Shi (author) (この著者で検索)
;
Dario Alfè (author) (この著者で検索)
;
Andrea Zen (author) (この著者で検索)
キーワード
Quantum Monte Carlo, Diffusion Monte Carlo, Fixed-Node Error
刊行年月日
2025-05-13
更新時刻
2025-12-02 08:30:03 +0900
2501.12950v3.pdf
Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer
ジャーナル論文
著者
Flaviano Della Pia (author) (この著者で検索)
;
Benjamin X. Shi (author) (この著者で検索)
;
Yasmine S. Al-Hamdani (author) (この著者で検索)
;
Dario Alfé (author) (この著者で検索)
;
Tyler A. Anderson (author) (この著者で検索)
;
Matteo Barborini (author) (この著者で検索)
;
Anouar Benali (author) (この著者で検索)
;
Michele Casula (author) (この著者で検索)
;
Neil D. Drummond (author) (この著者で検索)
;
Matúš Dubecký (author) (この著者で検索)
;
Claudia Filippi (author) (この著者で検索)
;
Paul R. C. Kent (author) (この著者で検索)
;
Jaron T. Krogel (author) (この著者で検索)
;
Pablo López Ríos (author) (この著者で検索)
;
Arne Lüchow (author) (この著者で検索)
;
Ye Luo (author) (この著者で検索)
;
Angelos Michaelides (author) (この著者で検索)
;
Lubos Mitas (author) (この著者で検索)
;
Kousuke Nakano (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Richard J. Needs (author) (この著者で検索)
;
Manolo C. Per (author) (この著者で検索)
;
Anthony Scemama (author) (この著者で検索)
;
Jil Schultze (author) (この著者で検索)
;
Ravindra Shinde (author) (この著者で検索)
;
Emiel Slootman (author) (この著者で検索)
;
Sandro Sorella (author) (この著者で検索)
;
Alexandre Tkatchenko (author) (この著者で検索)
;
Mike Towler (author) (この著者で検索)
;
C. J. Umrigar (author) (この著者で検索)
;
Lucas K. Wagner (author) (この著者で検索)
;
William A. Wheeler (author) (この著者で検索)
;
Haihan Zhou (author) (この著者で検索)
;
Andrea Zen (author) (この著者で検索)
キーワード
Quantum Monte Carlo, Diffusion Monte Carlo
刊行年月日
2025-09-14
更新時刻
2025-12-02 08:30:07 +0900
2302.14793v2.pdf
TREXIO: A file format and library for quantum chemistry
ジャーナル論文
著者
Evgeny Posenitskiy (author) (この著者で検索)
;
Vijay Gopal Chilkuri (author) (この著者で検索)
;
Abdallah Ammar (author) (この著者で検索)
;
Michał Hapka (author) (この著者で検索)
;
Katarzyna Pernal (author) (この著者で検索)
;
Ravindra Shinde (author) (この著者で検索)
;
Edgar Josué Landinez Borda (author) (この著者で検索)
;
Claudia Filippi (author) (この著者で検索)
;
Kosuke Nakano (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Otto Kohulák (author) (この著者で検索)
;
Sandro Sorella (author) (この著者で検索)
;
Pablo de Oliveira Castro (author) (この著者で検索)
;
William Jalby (author) (この著者で検索)
;
Pablo López Ríos (author) (この著者で検索)
;
Ali Alavi (author) (この著者で検索)
;
Anthony Scemama (author) (この著者で検索)
キーワード
quantum chemistry, data, interoperability
刊行年月日
2023-05-07
更新時刻
2024-12-18 08:30:57 +0900