Benchmark Dataset used in the paper "Fast Evaluation of Unbiased Atomic Forces in ab initio Variational Monte Carlo via the Lagrangian Technique"

Read full text
Authors: Kosuke Nakano, Stefano Battaglia, Jürg Hutter
Cited by: 0

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)

Fields of Study & Subjects

Advanced Chemical Physics Studies Quantum Computing Algorithms and Architecture Machine Learning in Materials Science

Publication details

Journal / source
Institutional Repositories DataBase (IRDB)
Publication date
23 January 2026
Language
XX
Document type
Dataset