Python suites for high-throughput calculations of the ab-initio quantum Monte Carlo methods

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Python suites for high-throughput calculations of the ab-initio quantum Monte Carlo methods

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Summary, etc.：: The TREXIO files used for the validation tests in the paper entitled TurboGenius: Python suite for high-throughput calculations of ab initio quantum M...

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Material Type: 文書・図像類
Title: Python suites for high-throughput calculations of the ab-initio quantum Monte Carlo methods
Author/Editor: NAKANO, Kosuke
Oto Kohulák
Abhishek Raghav
Michele Casula
Sandro Sorella
Author Heading: NAKANO, Kosuke
https://orcid.org/0000-0001-7756-4355
Oto Kohulák
Abhishek Raghav
Michele Casula
Sandro Sorella
Publication, Distribution, etc.: National Institute for Materials Science
Text Language Code: eng
Subject Heading: Ab initio Quantum Monte Carlo
High-throughput calculations
TurboRVB
TurboGenius
Target Audience: 一般
DOI: 10.48505/nims.4231
Access Restrictions: インターネット公開
Data Provider (Database): 国立情報学研究所 : 学術機関リポジトリデータベース（IRDB）（機関リポジトリ）
https://irdb.nii.ac.jp
Original Data Provider (Database): 物質・材料研究機構 : Materials Data Repository