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密度汎関数理論または電子構造 (1)
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全ての絞り込みを解除
2825 件のレコードが見つかりました。
Vision of Life’s Code: Molecular Probe Nanoarchitectonics for Deep RNA/DNA Illumination
ジャーナル論文
著者
Linawati Sutrisno
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3085-9660
NIMS Researchers Directory SAMURAI
Linawati Sutrisno
;
Kewei Sun
(author) (
この著者で検索
)
https://orcid.org/0000-0002-1835-243X
NIMS Researchers Directory SAMURAI
Kewei Sun
;
Katsuhiko Ariga
(author) (
この著者で検索
)
https://orcid.org/0000-0002-2445-2955
NIMS Researchers Directory SAMURAI
Katsuhiko Ariga
キーワード
RNA
,
DNA
,
bioimaging, chemical probes
,
multiplex, in vitro
,
biologist
,
chemist
,
detection
刊行年月日
2026-03-03
更新時刻
2026-03-05 08:30:16 +0900
A cellular automata-based crystal plasticity analysis of slip activity in additive manufactured Ti-6Al-4V during dwell fatigue
ジャーナル論文
著者
Hanqing Liu
(author) (
この著者で検索
)
Hanqing Liu
;
Masanori Kitamura
(author) (
この著者で検索
)
Masanori Kitamura
;
Fabien Briffod
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3635-4885
NIMS Researchers Directory SAMURAI
Fabien Briffod
;
Takayuki Shiraiwa
(author) (
この著者で検索
)
https://orcid.org/0000-0002-0999-0798
(unauthenticated)
Takayuki Shiraiwa
キーワード
Ti-6Al-4V
,
Additive manufacture
,
Dwell fatigue
,
Cellular Automaton
,
Crystal plasticity finite element method
,
Slip
刊行年月日
2025-09-18
更新時刻
2025-10-01 16:30:30 +0900
An interpretable linear model bridging data-driven analysis and chemical intuition for Eu
2+
-phosphor emissions
ジャーナル論文
著者
Yukinori Koyama
(author) (
この著者で検索
)
https://orcid.org/0000-0002-7090-4430
NIMS Researchers Directory SAMURAI
Yukinori Koyama
;
Ryusei Hayasaka
(author) (
この著者で検索
)
Ryusei Hayasaka
;
Yuta Matsushima
(author) (
この著者で検索
)
https://orcid.org/0000-0001-5826-1551
(unauthenticated)
Yuta Matsushima
;
Takayuki Nakanishi
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3412-2842
NIMS Researchers Directory SAMURAI
Takayuki Nakanishi
;
Takashi Takeda
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2510-4562
NIMS Researchers Directory SAMURAI
Takashi Takeda
;
Naoto Hirosaki
(author) (
この著者で検索
)
Naoto Hirosaki
キーワード
materials informatics
,
phosphor
,
europium
,
machine learning
,
interpretability
,
linear model
,
composition-based feature
刊行年月日
2026-12-31
更新時刻
2026-07-07 14:31:04 +0900
PubMan and Imeji: Self-archiving platform for researchers' outreach activities
プレゼンテーション
コレクション
The history of DICE and NIMS Digital Library
著者
TODOROKI, Shin-ichi
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3986-1900
NIMS Researchers Directory SAMURAI
TODOROKI, Shin-ichi
キーワード
eSciDoc
,
self-archiving
,
Imeji
,
YouTube
,
PubMan
,
outreach
刊行年月日
2011-10-13
更新時刻
2025-03-31 15:31:28 +0900
Computational material screening for electrode materials of BaSi2 solar cells
ジャーナル論文
著者
Tomoaki Yazaki
(author) (
この著者で検索
)
University of Yamanashi a Center for Crystal Science and Technology
Tomoaki Yazaki
;
Keisuke Arimoto
(author) (
この著者で検索
)
Keisuke Arimoto
;
Junji Yamanaka
(author) (
この著者で検索
)
Junji Yamanaka
;
Kosuke O. Hara
(author) (
この著者で検索
)
Kosuke O. Hara
キーワード
Solar cells
,
metallic electrode
,
high-throughput virtual screening
,
work function
,
melting point
,
density functional theory
刊行年月日
2026-12-31
更新時刻
2026-03-07 12:30:04 +0900
Prediction of CCT Curves for Titanium Alloys Based on Energetics
プレゼンテーション
著者
Yoshiaki Toda
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8343-2890
National Institute for Materials Science Center for Basic Research on Materials/Data-driven Materials Research Field/Materials Modeling Group
NIMS Researchers Directory SAMURAI
Yoshiaki Toda
;
Nina Kobata
(author) (
この著者で検索
)
National Institute for Materials Science Center for Basic Research on Materials/Data-driven Materials Research Field/Materials Modeling Group
Nina Kobata
;
Masahiko Demura
(author) (
この著者で検索
)
https://orcid.org/0000-0002-7308-3041
National Institute for Materials Science Center for Basic Research on Materials/Data-driven Materials Research Field/Materials Modeling Group
NIMS Researchers Directory SAMURAI
Masahiko Demura
;
Yoko Yamabe-Mitarai
(author) (
この著者で検索
)
Department of Advanced Material Science, Graduate School of Frontier Sciences, The University of Tokyo
Yoko Yamabe-Mitarai
キーワード
α-phase
,
β-solid solution
,
CALPHAD
,
Free Energy
,
Precipitation
刊行年月日
更新時刻
2025-12-19 16:31:23 +0900
Nonnegative matrix factorization incorporating domain specific constraints for four dimensional scanning transmission electron microscopy
ジャーナル論文
著者
Koji Kimoto
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3927-0492
NIMS Researchers Directory SAMURAI
Koji Kimoto
;
Fumihiko Uesugi
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3346-4218
NIMS Researchers Directory SAMURAI
Fumihiko Uesugi
;
Koji Harano
(author) (
この著者で検索
)
https://orcid.org/0000-0001-6800-8023
NIMS Researchers Directory SAMURAI
Koji Harano
;
Jun Kikkawa
(author) (
この著者で検索
)
https://orcid.org/0000-0003-0659-1844
NIMS Researchers Directory SAMURAI
Jun Kikkawa
;
Ovidiu Cretu
(author) (
この著者で検索
)
https://orcid.org/0000-0002-1822-8172
NIMS Researchers Directory SAMURAI
Ovidiu Cretu
;
Yuki Shibazaki
(author) (
この著者で検索
)
https://orcid.org/0000-0002-0550-6719
(unauthenticated)
Yuki Shibazaki
;
Motoki Shiga
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2434-4716
NIMS Researchers Directory SAMURAI
Motoki Shiga
;
Atsushi Togo
(author) (
この著者で検索
)
https://orcid.org/0000-0001-8393-9766
NIMS Researchers Directory SAMURAI
Atsushi Togo
キーワード
4D-STEM
,
unsupervised machine learning
,
nonnegative matrix factorization
,
scanning transmission electron microscopy
,
metallic glass
,
amorphous
,
ZrCuAl
刊行年月日
2025-11-07
更新時刻
2025-12-01 12:30:04 +0900
On-the-fly training of polynomial machine learning potentials in computing lattice thermal conductivity
ジャーナル論文
著者
Atsushi Togo
(author) (
この著者で検索
)
https://orcid.org/0000-0001-8393-9766
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
;
Atsuto Seko
(author) (
この著者で検索
)
Atsuto Seko
キーワード
Polynomial machine learning potential
,
Lattice thermal conductivity calculation
刊行年月日
2024-06-07
更新時刻
2024-08-29 16:30:19 +0900
Sulfonation Properties of Polyphenylsulfone
会議発表ポスター
著者
KIM, Jedeok
(author) (
この著者で検索
)
https://orcid.org/0000-0003-4301-1044
National Institute for Materials Science Research Center for Electronic and Optical Materials/Functional Materials Field/Environmental Circulation Composite Materials Group
NIMS Researchers Directory SAMURAI
KIM, Jedeok
キーワード
SPPSU synthesis
,
High proton conductivity
,
PEFC
刊行年月日
更新時刻
2023-07-31 11:08:39 +0900
Probing the Formation of Dark Interlayer Excitons via Ultrafast Photocurrent
ジャーナル論文
著者
Denis Yagodkin
(author) (
この著者で検索
)
Denis Yagodkin
;
Abhijeet Kumar
(author) (
この著者で検索
)
Abhijeet Kumar
;
Elias Ankerhold
(author) (
この著者で検索
)
Elias Ankerhold
;
Johanna Richter
(author) (
この著者で検索
)
Johanna Richter
;
Kenji Watanabe
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3701-8119
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Kenji Watanabe
;
Takashi Taniguchi
(author) (
この著者で検索
)
https://orcid.org/0000-0002-1467-3105
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Takashi Taniguchi
;
Cornelius Gahl
(author) (
この著者で検索
)
Cornelius Gahl
;
Kirill I. Bolotin
(author) (
この著者で検索
)
Kirill I. Bolotin
キーワード
Dark excitons
,
ultrafast photocurrent
,
MoS2/MoSe2
刊行年月日
2023-10-25
更新時刻
2025-02-14 16:31:00 +0900
キーワード
thermoelectric
(49)
graphene
(42)
machine learning
(34)
2D materials
(30)
Machine learning
(25)
Spintronics
(23)
hexagonal boron nitride
(23)
transmission electron microscopy
(21)
X-ray diffraction
(17)
nanomechanical sensors
(17)
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(16)
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(16)
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(15)
fiber fuse
(15)
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(15)
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(14)
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(14)
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(14)
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(14)
diamond
(14)
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(14)
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(13)
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(13)
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(13)
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(13)
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(13)
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(13)
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(12)
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(12)
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(12)
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(11)
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(11)
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(11)
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(11)
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(11)
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(11)
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(11)
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(10)
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(10)
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(10)
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(10)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
fullerene
(7)
high-pressure synthesis
(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(7)
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(6)
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(6)
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(6)
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(6)
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(6)
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etching
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(5)
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(5)
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(4)
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(4)
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(4)
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(4)
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(4)
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(4)
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(4)
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(4)
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(4)
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(4)
RDEメタデータ定義
RDE送り状
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