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Dataset
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 SAMURAI ORCID ; Stefano Battaglia ; Jürg Hutter
Keyword
Variational Monte Carlo, Atomic forces, rMD17
Date published
Updated at
2026-01-28 08:30:04 +0900