# Fast evaluation of unbiased atomic forces in                    <i>ab&nbsp;initio</i>                    variational Monte Carlo via the Lagrangian technique

https://mdr.nims.go.jp/datasets/428a38d8-d9ea-45f2-a54d-2c31df9fa429

## File

- [124113_1_5.0311160.pdf](https://mdr.nims.go.jp/filesets/283396d3-5169-4f04-9b06-dd1ebd970a3e/download) ([Detail](https://mdr.nims.go.jp/filesets/283396d3-5169-4f04-9b06-dd1ebd970a3e.md))

## Id

428a38d8-d9ea-45f2-a54d-2c31df9fa429

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2026-04-02T00:29:01.913368Z

## Updated at

2026-04-02T01:26:04.267310Z

## Published at

2026-04-02T03:25:43.590064Z

## Doi



## First published url

https://doi.org/10.1063/5.0311160

## Date published

2026-03-28

## Recorded date published

2026-3-28

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Fast evaluation of unbiased atomic forces in                    <i>ab initio</i>                    variational
    Monte Carlo via the Lagrangian technique
  title_type: original
  lang: en

## Description

- description: 申請者が以前開発した第一原理変分量子モンテカルロ法における原子に働く力の計算は、大規模系についてはその適用が計算コストの観点から難しかったが、今回、University
    of Zurichに所属する研究者の手助けを受けて、その計算コストの問題を解決した。
  description_type: abstract
  lang: und

## Creator

- name: Kousuke Nakano
  role: author
  orcid: https://orcid.org/0000-0001-7756-4355
  organization: National Institute for Materials Science
- name: Stefano Battaglia
  role: author
- name: Jürg Hutter
  role: author

## Contact agent



## Publisher

organization: AIP Publishing

## Managing organization



## Keyword

- subject: ab initio Quantum Monte Carlo
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by/4.0/
  date_licensed: 2026-03-30

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: JOURNAL OF CHEMICAL PHYSICS
  issn: '00219606'
  volume: '164'
  issue: '12'
  article_number: '124113'

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## Related item



## Funding

- identifier: hp250031
  funder_name: RIKEN Center for Computational Science
- identifier: JPMXS0320220025
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: M24AN006
  funder_name: Murata Science and Education Foundation
- identifier: JPMJPR24J9
  funder_name: Japan Science and Technology Agency
- identifier: 25K00216
  funder_name: Japan Society for the Promotion of Science
- identifier: '205602'
  funder_name: 'National Center of Competence in Research Materials’ Revolution: Computational
    Design and Discovery of Novel Materials'

## Instrument



## Instrument operator



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## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



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## Process for specimen treatment



## Computational method



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## Fileset

- id: 283396d3-5169-4f04-9b06-dd1ebd970a3e
  filename: 124113_1_5.0311160.pdf
  content_type: application/pdf
  size: 5795423
  md5: 180c8230922881bc477cba924c21cfb1

## Thumbnail

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filename: 124113_1_5.0311160.pdf