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)

https://orcid.org/0000-0001-7756-4355

National Institute for Materials Science (NIMS) Center for Basic Research on Materials (CBRM)

NIMS Researchers Directory SAMURAI

Kosuke Nakano ;

Stefano Battaglia (author) (この著者で検索)

University of Zurich (UZH) Department of Chemistry

Stefano Battaglia ;

Jürg Hutter (author) (この著者で検索)

University of Zurich (UZH) Department of Chemistry

Jürg Hutter

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