File type: application/pdf Keyword: Diffusion Monte Carlo
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3 records found.

194117_1_5.0296986.pdf
Load-balanced diffusion Monte Carlo method with lattice regularization
Article
Creator
Kousuke Nakano SAMURAI ORCID ; Sandro Sorella ; Michele Casula
Keyword
Quantum Monte Carlo, Variational Monte Carlo, Diffusion Monte Carlo, Diffusion Monte Carlo method with lattice regularization
Date published
2025-11-21
Updated at
2025-12-02 08:30:15 +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
Article
Creator
Kousuke Nakano SAMURAI ORCID ; Benjamin X. Shi ; Dario Alfè ; Andrea Zen
Keyword
Quantum Monte Carlo, Diffusion Monte Carlo, Fixed-Node Error
Date published
2025-05-13
Updated at
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
Article
Creator
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 SAMURAI ORCID ; 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
Keyword
Quantum Monte Carlo, Diffusion Monte Carlo
Date published
2025-09-14
Updated at
2025-12-02 08:30:07 +0900