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905 records found.
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
Ptychographical reconstruction code by Wigner Distribution Deconvolution （WDD）
- Software
- Creator
-
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
Preprocessing Method for Spectra Interpreted by the Power Law Using Segment Regression
- Journal article
- Creator
-
Shinjiro Yagyu (author) (Search by this author)
;
Michiko Yoshitake (author) (Search by this author)
;
Takahiro Nagata (author) (Search by this author)
- Keyword
- Photoelectron Yield Spectroscopy:, segment regression, Power Law
- Date published
- 2024-11-26
- Updated at
- 2024-12-04 14:52:47 +0900
Current State and Perspectives of Exfoliated Zeolites
- Journal article
- Creator
-
;Wieslaw J. Roth (author) (Search by this author)Jagiellonian University;Maksym Opanasenko (author) (Search by this author)Charles University in Prague;Michal Mazur (author) (Search by this author)Charles University in Prague;Barbara Gil, (author) (Search by this author)Jagiellonian University;Jiˇrí ˇCejka (author) (Search by this author)Charles University in PragueTakayoshi Sasaki (author) (Search by this author)National Institute for Materials Science
- Keyword
- bifer, chemical exfoliation, ilerite, nanocomposites, ultrathin zeolite nanosheets, zeolite films, zeolites MFI and MWW
- Date published
- 2023-11-28
- Updated at
- 2024-07-09 12:30:33 +0900
Subphase exploration for SmFe12-based permanent magnets by Gibbs energies obtained with first-principles cluster-expansion method
- Journal article
- Creator
-
;Satoru Enomoto (author) (Search by this author);Sonju Kou (author) (Search by this author)Taichi Abe (author) (Search by this author)National Institute for Materials Science
;
Yoshihiro Gohda (author) (Search by this author)
- Keyword
- Phase stability, CALHPAD, Ab initio calculations
- Date published
- 2023-04-11
- Updated at
- 2025-04-16 08:30:24 +0900
Bridging the gap between in vitro and in vivo solubility-permeability interplay
- Journal article
- Creator
-
;Michinori Oikawa (author) (Search by this author);Satoru Matsuura (author) (Search by this author);Takeyuki Okudaira (author) (Search by this author);Ryo Ito (author) (Search by this author);Kanako Arima (author) (Search by this author);Masahiro Fushimi (author) (Search by this author);Takamasa Oda (author) (Search by this author);Kaoru Ohyama (author) (Search by this author)Kohsaku Kawakami (author) (Search by this author)
- Keyword
- Solubility-permeability interplay, Solubilization, Poorly soluble drug, Oral absorption, Cyclodextrin
- Date published
- 2024-10-22
- Updated at
- 2025-10-23 08:30:07 +0900
Supercon 2 Dataset
- Dataset
- Creator
-
Foppiano, Luca (author) (Search by this author)
- Keyword
- superconductors, machine learning, dataset, tdm, materials science
- Date published
- 2022-09-10
- Updated at
- 2022-10-18 10:11:01 +0900
Rational choice of amide-based electrolytes toward high-power rechargeable lithium-air batteries
- Journal article
- Creator
-
Akihiro Nomura (author) (Search by this author)Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Rechargeable Battery Materials Group, National Institute for Materials Science
;
Shota Azuma (author) (Search by this author)Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Rechargeable Battery Materials Group, National Institute for Materials Science
;
;Fumisato Ozawa (author) (Search by this author)Seikei UniversityMorihiro Saito (author) (Search by this author)Seikei University
- Keyword
- amide-based electrolytes, carbon nanotubes, high-energy-density batteries, high-power batteries, lithium-air batteries
- Date published
- 2025-09-07
- Updated at
- 2025-09-11 16:08:24 +0900
Atomistic model analysis of the spin reorientation transition in systems
- Journal article
- Creator
-
Masamichi Nishino (author) (Search by this author)
;
Rachida Lamouri (author) (Search by this author)
https://orcid.org/0000-0003-1820-5277
(unauthenticated)
;
Hisazumi Akai (author) (Search by this author)
- Keyword
- Spin reorientation transition, Crystal-field theory, Magnetic phase transitions, Monte Carlo methods, Transition-metal rare-earth alloys, Permanent magnets
- Date published
- 2026-02-17
- Updated at
- 2026-02-19 16:30:18 +0900
Magnetic Induction Heating Enables On-Demand Drug Release via Diels–Alder Polymeric Nanocarriers
- Journal article
- Creator
-
Nanami Fujisawa (author) (Search by this author)National Institute for Materials Science
;
Mitsuhiro Ebara (author) (Search by this author)National Institute for Materials Science
;
James J. Lai (author) (Search by this author)
- Keyword
- Diels-Alder reaction, magnetic hyperthermia, on-demand
- Date published
- 2025-11-10
- Updated at
- 2025-12-19 08:30:20 +0900