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1368 records found. Displaying records 1 to 10.

Shinotsuka2023_JES267_147370.pdf
Sample structure prediction from measured XPS data using Bayesian estimation and SESSA simulator
Journal article
Creator
Hiroshi Shinotsuka (author) (Search by this author)
Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science
ORCID SAMURAI ;
Kenji Nagata (author) (Search by this author)
Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science
ORCID SAMURAI ;
Malinda Siriwardana (author) (Search by this author)
Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science
;
Hideki Yoshikawa (author) (Search by this author)
Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science
ORCID SAMURAI ;
Hayaru Shouno (author) (Search by this author)
Graduate School of Informatics and Engineering, The University of Electro-Communications
ORCID ;
Masato Okada (author) (Search by this author)
Graduate School of Frontier Science, The University of Tokyo
ORCID
Keyword
X-ray photoelectron spectroscopy, Bayesian estimation, Exchange Monte Carlo method, SESSA
Date published
2023-07-06
Updated at
2024-01-05 22:11:57 +0900

1d4sc05053c-2.pdf
Systematic design and functionalisation of amorphous zirconium metal–organic frameworks
Journal article
Creator
Nattapol Ma (author) (Search by this author)
ORCID SAMURAI ;
Soracha Kosasang (author) (Search by this author)
ORCID ;
Jennifer Theissen (author) (Search by this author)
ORCID ;
Nick Gys (author) (Search by this author)
ORCID ;
Tom Hauffman (author) (Search by this author)
;
Ken-ichi Otake (author) (Search by this author)
ORCID ;
Satoshi Horike (author) (Search by this author)
ORCID ;
Rob Ameloot (author) (Search by this author)
ORCID
Keyword
metal-organic frameworks, amorphous, bottom-up assembly, sol-gel synthesis, functionalisation
Date published
2024-10-07
Updated at
2024-11-11 16:30:18 +0900

shrine20230224-1595-evb8he.pdf
Thermal stability investigation for Ohmic contact properties of Pt, Au, and Pd electrodes on the same hydrogen-terminated diamond
Journal article
Creator
Xiaolu Yuan (author) (Search by this author)
;
Jiangwei Liu (author) (Search by this author)
ORCID SAMURAI ;
Siwu Shao (author) (Search by this author)
;
Jinlong Liu (author) (Search by this author)
;
Junjun Wei (author) (Search by this author)
;
Bo Da (author) (Search by this author)
ORCID SAMURAI ;
Chengming Li (author) (Search by this author)
;
Yasuo Koide (author) (Search by this author)
ORCID SAMURAI
Keyword
thermal stabilities for Ohmic contact properties
Date published
2020-05-01
Updated at
2024-01-05 22:12:23 +0900

icam_prc.pdf
Multi-dimensional data management by virtual sample library written in object-oriented script language Ruby
Journal article
Creator
ORCID SAMURAI ;
INOUE, Satoru (author) (Search by this author)
Keyword
object-oriented, informatics, multi-dimensional data, virtual sample library
Date published
[2004-02]
Updated at
2022-10-03 01:49:03 +0900

JChemPhys160(2024)184102.pdf
Non-adiabatic excited-state time-dependent GW molecular dynamics (TDGW) satisfying extended Koopmans’ theorem: An accurate description of methane photolysis
Journal article
Creator
Aaditya Manjanath (author) (Search by this author)
ORCID SAMURAI ;
Ryoji Sahara (author) (Search by this author)
ORCID SAMURAI ;
Kaoru Ohno (author) (Search by this author)
ORCID ;
Yoshiyuki Kawazoe (author) (Search by this author)
Keyword
Molecular dynamics, Methane photolysis, Excited states, time-dependent density functional theory, GW approximation
Date published
2024-05-14
Updated at
2025-05-14 08:30:07 +0900

d6dd00294c.pdf
Efficient and scalable expansion of property limits via novelty-guided exploration
Journal article
Creator
Satoru Fujii (author) (Search by this author)
ORCID ; ORCID SAMURAI ;
Masato Sumita (author) (Search by this author)
ORCID ;
Kei Terayama (author) (Search by this author)
ORCID
Keyword
novelty-guided exploration
Date published
2026-07-21
Updated at
2026-09-24 09:31:40 +0900

Mn3-xFexSn原稿.pdf
Magnetic structures and magnetic anisotropy of Mn3−x Fe x Sn studied by first-principles calculations
Journal article
Creator
Katsunori Tagami (author) (Search by this author)
;
Takahisa Ohno (author) (Search by this author)
ORCID SAMURAI ;
Jun Nara (author) (Search by this author)
ORCID SAMURAI ;
Mamoru Usami (author) (Search by this author)
Keyword
Mn3-xFexSn
Date published
2024-02-29
Updated at
2025-02-15 12:31:45 +0900

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