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"
Kosuke Nakano
(author)
(この著者で検索)
National Institute for Materials Science (NIMS) Center for Basic Research on Materials (CBRM)
;
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
コレクション
引用
Kosuke Nakano, Stefano Battaglia, Jürg Hutter.
Benchmark Dataset used in the paper "Fast Evaluation of Unbiased Atomic Forces in ab initio Variational Monte Carlo via the Lagrangian Technique".
https://doi.org/10.48505/nims.6164
説明:
(abstract)This repository provides the **structures**, **input files**, **output files**, and a **Jupyter notebook** used for the paper [arXiv:2511.05222](https://doi.org/10.48550/arXiv.2511.05222)
データの性質: other
権利情報:
キーワード: Variational Monte Carlo, Atomic forces, rMD17
刊行年月日:
出版者: NIMS
掲載誌:
研究助成金:
原稿種別: 論文以外のデータ
MDR DOI: https://doi.org/10.48505/nims.6164
公開URL:
関連資料:
その他の識別子:
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更新時刻: 2026-01-28 08:30:04 +0900
MDRでの公開時刻: 2026-01-27 17:08:28 +0900