2315 records found.
Simple implementation examples of agent AI on free energy calculation and phase-field simulation
- Article
- Creator
-
Toshiyuki Koyama
;
Yusuke Matsuoka
;
Akimitsu Ishii
- 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
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
;
Stefano Battaglia
;
Jürg Hutter
- Keyword
- Variational Monte Carlo, Atomic forces, rMD17
- Date published
- Updated at
- 2026-01-28 08:30:04 +0900
PoLyInfo Ontology Version 1.2
- Dataset
- Collection
- PoLyInfo Knowledge Collection
- Creator
-
Masashi Ishii
;
Koichi Sakamoto
- 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
;
Koichi Sakamoto
- Keyword
- Polymer chemistry knowledge, PoLyInfo, Ontology, BFO, collection - PoLyInfo Knowledge
- Date published
- Updated at
- 2025-05-03 08:30:14 +0900
Optical constants of MgxZn1-xO
- Dataset
- Creator
-
Yusuke Kozuka
- Keyword
- Optical constants, Spectroscopic ellipsometry, Zinc oxide
- Date published
- 2025-04-06
- Updated at
- 2025-04-08 11:27:45 +0900
MDR SuperCon Datasheet Ver.240322
- Dataset
- Collection
- MDR SuperCon Datasheet
- Creator
- Center for Basic Research on Materials
- Keyword
- SuperCon, Superconductors, Oxide, Metallic, Organic, Tc
- Date published
- Updated at
- 2024-05-14 16:30:16 +0900
MDR SuperCon Datasheet Readme Ver.2.0
- Other
- Collection
- MDR SuperCon Datasheet
- Creator
-
Masashi Ishii
- Keyword
- SuperCon, Superconductors, Oxide, Metallic, Organic, Readme
- Date published
- Updated at
- 2024-05-14 16:30:22 +0900
PoLyInfo Ontology Version 1.0
- Dataset
- Collection
- PoLyInfo Knowledge Collection
- Creator
-
Masashi Ishii
;
Koichi Sakamoto
- Keyword
- Polymer chemistry knowledge, PoLyInfo, Ontology, BFO, collection - PoLyInfo Knowledge
- Date published
- Updated at
- 2024-03-26 10:19:11 +0900
XAFS spectrum of Nickel(II) oxide
- Dataset
- Collection
- MDR XAFS DB
- Creator
-
Masashi Ishii
;
SAGA-LS
- Keyword
- Nickel(II) oxide, NiO, Ni L-edge, Oxide, BL12, SAGA-LS, XAFS, collection - MDR XAFS DB
- Date published
- Updated at
- 2025-05-02 22:00:17 +0900
XAFS spectrum of Nickel(II) oxide
- Dataset
- Collection
- MDR XAFS DB
- Creator
-
Masashi Ishii
;
SAGA-LS
- Keyword
- Nickel(II) oxide, NiO, Ni L-edge, Oxide, BL10, SAGA-LS, XAFS, collection - MDR XAFS DB
- Date published
- Updated at
- 2025-05-02 21:49:00 +0900