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7 records found.

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 (author) (Search by this author)
Center for Basic Research on Materials (CBRM), National Institute for Materials Science (NIMS)
ORCID SAMURAI ;
Stefano Battaglia (author) (Search by this author)
Department of Chemistry, University of Zurich (UZH)
;
Jürg Hutter (author) (Search by this author)
Department of Chemistry, University of Zurich (UZH)
Keyword
Variational Monte Carlo, Atomic forces, rMD17
Date published
Updated at
2026-01-28 08:30:04 +0900
Dataset
Hydrogen Equation of State with SCAN-VV10
Dataset
Creator
Cesare Cozza (author) (Search by this author)
Department of Astrophysics, University of Zurich
;
Kousuke Nakano (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science (NIMS)
ORCID SAMURAI ;
Saburo Howard (author) (Search by this author)
Department of Astrophysics, University of Zurich
;
Hao Xie (author) (Search by this author)
Department of Astrophysics, University of Zurich
;
Ravit Helled (author) (Search by this author)
Department of Astrophysics, University of Zurich
;
Guglielmo Mazzola (author) (Search by this author)
Department of Astrophysics, University of Zurich
Keyword
Hydrogen, Equation of State, DFT, SCAN-VV10
Date published
Updated at
2026-01-20 08:34:18 +0900
Dataset
HeuslerDB_elecBand_ver1.0
Dataset
Creator
Terumasa Tadano (author) (Search by this author)
Spin Theory Group, Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science
ORCID SAMURAI
Keyword
Heusler alloys, Density functional theory, Band structure
Date published
2025-07-16
Updated at
2025-10-06 16:30:11 +0900
Dataset
HeuslerDB_elecDOS_ver1.0
Dataset
Creator
Terumasa Tadano (author) (Search by this author)
Spin Theory Group, Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science
ORCID SAMURAI
Keyword
Heusler alloys
Date published
2025-07-16
Updated at
2025-10-06 16:30:20 +0900
Dataset
Python suites for high-throughput calculations of the ab-initio quantum Monte Carlo methods
Dataset
Creator
NAKANO, Kosuke (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science (NIMS)
ORCID SAMURAI ;
Oto Kohulák (author) (Search by this author)
International School for Advanced Studies (SISSA)
;
Abhishek Raghav (author) (Search by this author)
International School for Advanced Studies (SISSA)
;
Michele Casula (author) (Search by this author)
Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie (IMPMC), Sorbonne Université
;
Sandro Sorella (author) (Search by this author)
International School for Advanced Studies (SISSA)
Keyword
Ab initio Quantum Monte Carlo, High-throughput calculations, TurboRVB, TurboGenius
Date published
Updated at
2023-11-15 15:38:36 +0900
Dataset
MaterialBERT for Natural Language Processing of Materials Science Texts
Journal article
Creator
KAWANO, Hiroyuki (author) (Search by this author)
Ridgelinez Limited
;
SATO, Fumitaka (author) (Search by this author)
Ridgelinez Limited
;
YOSHITAKE, Michiko (author) (Search by this author)
MaDIS, National Institute for Materials Science
ORCID SAMURAI ;
MOTEKI, Fuma (operator) (Search by this author)
Ridgelinez Limited
;
TERAOKA, Hiroshi (author) (Search by this author)
Ridgelinez Limited
Keyword
word embedding, pre-training, BERT, literal information
Date published
Updated at
2025-04-15 08:30:11 +0900
_最終稿版_機械学習による光電子収量分光PYSスペクトルの自動閾値予測200629.pdf
Automatic Threshold Prediction of Photoelectron Yield Spectroscopy (PYS) by Machine Learning
Journal article
Creator
ORCID SAMURAI ;
YOSHITAKE, Michiko (author) (Search by this author)
; ORCID SAMURAI ; ORCID SAMURAI
Keyword
threshold, machine learning, photoelectron yield spectroscopy
Date published
2020-06-10
Updated at
2024-01-05 22:12:44 +0900