119 records found.
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)
;
;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
First-principles calculations of optical constants
- Dataset
- Creator
-
SHINOTSUKA, Hiroshi (author) (Search by this author)
;
YOSHIKAWA, Hideki (author) (Search by this author)
;
TANUMA, Shigeo (author) (Search by this author)
- Keyword
- first-principles calculation, energy loss function, optical constant, compound semiconductor
- Date published
- 2021-07-06
- Updated at
- 2022-10-03 02:03:24 +0900
Ptychographical reconstruction code by Wigner Distribution Deconvolution （WDD）
- Software
- Creator
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Nakazawa Katsuaki (author) (Search by this author)ICYS, National Institute for Materials Science
;
Mitsuishi Kazutaka (author) (Search by this author)Research Center for Advanced Measurement and Characterization, National Institute for Materials Science
- Keyword
- ptychography, 4DSTEM, electron microscopy, Wigner distribution deconvolution, aberration correction
- Date published
- 2022-11-30
- Updated at
- 2023-02-03 17:43:11 +0900
PoLyInfo Ontology Version 1.0
- Dataset
- Collection
- PoLyInfo Knowledge Collection
- Creator
-
Masashi Ishii (author) (Search by this author)National Institute for Materials Science
;
Koichi Sakamoto (author) (Search by this author)National Institute for Materials Science
- Keyword
- Polymer chemistry knowledge, PoLyInfo, Ontology, BFO, collection - PoLyInfo Knowledge
- Date published
- Updated at
- 2024-03-26 10:19:11 +0900
MDR SuperCon Datasheet Readme
- Other
- Collection
- MDR SuperCon Datasheet
- Creator
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Materials Database Group (editor) (Search by this author)National Institute for Materials Science
- Keyword
- SuperCon, Superconductors, Oxide, Metallic, Organic, Readme
- Date published
- Updated at
- 2023-12-25 00:30:37 +0900
MDR SuperCon Datasheet Readme Ver.2.0
- Other
- Collection
- MDR SuperCon Datasheet
- Creator
-
Masashi Ishii (editor) (Search by this author)National Institute for Materials Science
- Keyword
- SuperCon, Superconductors, Oxide, Metallic, Organic, Readme
- Date published
- Updated at
- 2024-05-14 16:30:22 +0900
PoLyInfo Ontology Version 1.2
- Dataset
- Collection
- PoLyInfo Knowledge Collection
- Creator
-
Masashi Ishii (author) (Search by this author)National Institute for Materials Science
;
Koichi Sakamoto (author) (Search by this author)National Institute for Materials Science
- Keyword
- Polymer chemistry knowledge, PoLyInfo, Ontology, BFO, collection - PoLyInfo Knowledge
- Date published
- Updated at
- 2025-05-03 08:30:23 +0900
PoLyInfo Ontology Version 1.1
- Dataset
- Collection
- PoLyInfo Knowledge Collection
- Creator
-
Masashi Ishii (author) (Search by this author)National Institute for Materials Science
;
Koichi Sakamoto (author) (Search by this author)National Institute for Materials Science
- Keyword
- Polymer chemistry knowledge, PoLyInfo, Ontology, BFO, collection - PoLyInfo Knowledge
- Date published
- Updated at
- 2025-05-03 08:30:14 +0900
Simple implementation examples of agent AI on free energy calculation and phase-field simulation
- Journal article
- Creator
-
Toshiyuki Koyama (author) (Search by this author)
https://orcid.org/0000-0001-7424-4858
(unauthenticated)
;
Yusuke Matsuoka (author) (Search by this author)
;
Akimitsu Ishii (author) (Search by this author)
- Keyword
- generative AI, LLM, LangGraph, Gibbs energy, Phase-field method, Jarzynski equality
- Date published
- 2026-12-31
- Updated at
- 2026-02-08 08:30:08 +0900
MDR SuperCon Datasheet Ver.240322
- Dataset
- Collection
- MDR SuperCon Datasheet
- Creator
-
Center for Basic Research on Materials (editor) (Search by this author)National Institute for Materials Science
- Keyword
- SuperCon, Superconductors, Oxide, Metallic, Organic, Tc
- Date published
- Updated at
- 2024-05-14 16:30:16 +0900