4870 records found. Displaying records 41 to 50.

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First-principles lattice thermal conductivity calculation for DyTaO4 / P2/c (13) / materials id 7703
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science
ORCID SAMURAI
Keyword
Lattice thermal conductivity, DyTaO4
Date published
Updated at
2026-01-24 14:19:35 +0900

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First-principles lattice thermal conductivity calculation for DyTaO4 / C2/c (15) / materials id 557914
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science
ORCID SAMURAI
Keyword
Lattice thermal conductivity, DyTaO4
Date published
Updated at
2026-01-15 15:00:58 +0900

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First-principles lattice thermal conductivity calculation for DyTlS2 / R-3m (166) / materials id 31166
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science
ORCID SAMURAI
Keyword
Lattice thermal conductivity, DyTlS2
Date published
Updated at
2026-01-24 13:23:48 +0900

mayner-et-al-2024-monitoring-electrochemical-dynamics-through-single-molecule-imaging-of-hbn-surface-emitters-in.pdf
Monitoring Electrochemical Dynamics through Single-Molecule Imaging of hBN Surface Emitters in Organic Solvents
Journal article
Creator
Eveline Mayner (author) (Search by this author)
;
Nathan Ronceray (author) (Search by this author)
;
Martina Lihter (author) (Search by this author)
;
Tzu-Heng Chen (author) (Search by this author)
;
Kenji Watanabe (author) (Search by this author)
ORCID SAMURAI ;
Takashi Taniguchi (author) (Search by this author)
ORCID SAMURAI ;
Aleksandra Radenovic (author) (Search by this author)
Keyword
single-molecule imaging, electrochemical dynamics, hexagonal boron nitride (hBN)

Date published
2024-10-08
Updated at
2026-02-16 18:39:12 +0900

NIMS-OS  an automation software to implement a closed loop between artificial intelligence and robotic experiments in materials science.pdf
NIMS-OS: An automation software to implement a closed loop between artificial intelligence and robotic experiments in materials science
Journal article
Creator
Ryo Tamura (author) (Search by this author)
ORCID SAMURAI ;
Koji Tsuda (author) (Search by this author)
ORCID SAMURAI ;
Shoichi Matsuda (author) (Search by this author)
ORCID SAMURAI
Keyword
NIMS-OS, artificial intelligence, robotic experiments
Date published
2023-12-31
Updated at
2024-01-05 22:12:12 +0900

1-13_dataset.xlsx
Dataset of La(Fe,Si)13-based magnetocaloric alloys
Dataset
Creator
Anton Bolyachkin (author) (Search by this author)
Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science
;
Srinithi Ashok Krishnaswamy (author) (Search by this author)
Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science
Keyword
La(Fe,Si)13, Magnetocaloric effect, Transition temperature, Entropy change, Thermal hysteresis
Date published
Updated at
2024-12-02 16:30:26 +0900

s43246-025-01011-x.pdf
Near-surface defects break symmetry in water adsorption on CeO2−x(111)
Journal article
Creator
ORCID SAMURAI ;
Manuel González Lastre (author) (Search by this author)
ORCID ;
Kyungmin Kim (author) (Search by this author)
ORCID ;
Estefanía Fernández-Villanueva (author) (Search by this author)
ORCID ;
Pablo Pou (author) (Search by this author)
ORCID ;
Masayuki Abe (author) (Search by this author)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI ;
M. Verónica Ganduglia-Pirovano (author) (Search by this author)
ORCID ;
Ruben Perez (author) (Search by this author)
ORCID
Keyword
scanning probe microscopy, cerium dioxide, water, surface, thin films, density functional theory
Date published
2026-01-23
Updated at
2026-02-08 08:30:20 +0900

d5ta02720a-2.pdf
Thermally polymerizable phthalocyanine realizes a metal–nitrogen-doped carbon material featuring a defined single-atom catalyst motif with CO2RR activity
Journal article
Creator
Yuki Sano (author) (Search by this author)
;
Daichi Nakajima (author) (Search by this author)
; ORCID SAMURAI ;
Koki Chida (author) (Search by this author)
ORCID ;
Ryojun Toyoda (author) (Search by this author)
ORCID ;
Shinya Takaishi (author) (Search by this author)
ORCID ;
Kazuyuki Iwase (author) (Search by this author)
ORCID ; ORCID SAMURAI ;
Yuta Nishina (author) (Search by this author)
ORCID ;
Takeharu Yoshii (author) (Search by this author)
ORCID ;
Ryota Sakamoto (author) (Search by this author)
ORCID
Keyword
phthalocyanine, catalyst, CO2 reduction, transmission electron microscopy
Date published
2025-08-26
Updated at
2025-09-10 16:30:30 +0900

CrySPY a crystal structure prediction tool accelerated by machine learning.pdf
CrySPY: a crystal structure prediction tool accelerated by machine learning
Journal article
Creator
Tomoki Yamashita (author) (Search by this author)
;
Shinichi Kanehira (author) (Search by this author)
;
Nobuya Sato (author) (Search by this author)
;
Hiori Kino (author) (Search by this author)
National Institute for Materials Science
ORCID ;
Kei Terayama (author) (Search by this author)
;
Hikaru Sawahata (author) (Search by this author)
;
Takumi Sato (author) (Search by this author)
;
Futoshi Utsuno (author) (Search by this author)
;
Koji Tsuda (author) (Search by this author)
ORCID SAMURAI ;
Takashi Miyake (author) (Search by this author)
ORCID SAMURAI ;
Tamio Oguchi (author) (Search by this author)
Keyword
crystal structure prediction, Bayesian optimization, LAQA, first-principles calculations, evolutionary algorithm
Date published
2021-01-01
Updated at
2024-04-02 23:51:18 +0900

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