2 records found.
Benchmark Dataset used in the paper "Fast Evaluation of Unbiased Atomic Forces in ab initio Variational Monte Carlo via the Lagrangian Technique"
- Dataset
- Creator
-
Kosuke Nakano (author) (Search by this author)Center for Basic Research on Materials (CBRM), National Institute for Materials Science (NIMS)
;
;Stefano Battaglia (author) (Search by this author)Department of Chemistry, University of Zurich (UZH)Jürg Hutter (author) (Search by this author)Department of Chemistry, University of Zurich (UZH) - Keyword
- Variational Monte Carlo, Atomic forces, rMD17
- Date published
- Updated at
- 2026-01-28 08:30:04 +0900
Fast evaluation of unbiased atomic forces in ab initio variational Monte Carlo via the Lagrangian technique
- Journal article
- Creator
-
Kousuke Nakano (author) (Search by this author)National Institute for Materials Science
;
;Stefano Battaglia (author) (Search by this author)Jürg Hutter (author) (Search by this author)
- Keyword
- ab initio Quantum Monte Carlo
- Date published
- 2026-03-28
- Updated at
- 2026-04-02 10:26:04 +0900