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 ; Stefano Battaglia ; Jürg Hutter

Keyword

Variational Monte Carlo, Atomic forces, rMD17

Date published

Updated at

2026-01-28 08:30:04 +0900