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密度汎関数理論または電子構造 (1)
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2944 件のレコードが見つかりました。
Macroscopic Structural Transition of Nickel Dithiolate Capsule with Uniaxial Magnetic Anisotropy in Water
ジャーナル論文
著者
Tomoko Fujino
(author) (
この著者で検索
)
https://orcid.org/0000-0002-0441-8653
(unauthenticated)
Tomoko Fujino
;
Mafumi Hishida
(author) (
この著者で検索
)
https://orcid.org/0000-0003-4511-4039
(unauthenticated)
Mafumi Hishida
;
Masatoshi Ito
(author) (
この著者で検索
)
Masatoshi Ito
;
Toshikazu Nakamura
(author) (
この著者で検索
)
https://orcid.org/0000-0001-8672-0946
(unauthenticated)
Toshikazu Nakamura
;
Mizue Asada
(author) (
この著者で検索
)
https://orcid.org/0000-0003-0837-7753
(unauthenticated)
Mizue Asada
;
Naoya Kurahashi
(author) (
この著者で検索
)
https://orcid.org/0000-0002-9266-4837
(unauthenticated)
Naoya Kurahashi
;
Hisao Kiuchi
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9139-8218
(unauthenticated)
Hisao Kiuchi
;
Yoshihisa Harada
(author) (
この著者で検索
)
Yoshihisa Harada
;
Koji Harano
(author) (
この著者で検索
)
https://orcid.org/0000-0001-6800-8023
NIMS Researchers Directory SAMURAI
Koji Harano
;
Rie Makiura
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2589-0698
(unauthenticated)
Rie Makiura
;
Kanokwan Jumtee Takeno
(author) (
この著者で検索
)
https://orcid.org/0000-0002-4087-7910
(unauthenticated)
Kanokwan Jumtee Takeno
;
So Yokomori
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3472-3368
(unauthenticated)
So Yokomori
;
Hiroshi Oike
(author) (
この著者で検索
)
https://orcid.org/0000-0001-6866-7774
NIMS Researchers Directory SAMURAI
Hiroshi Oike
;
Hatsumi Mori
(author) (
この著者で検索
)
Hatsumi Mori
キーワード
electronic structure
,
magnetic properties
,
nanostructures
,
synthesis design
,
X-ray absorption spectroscopy
刊行年月日
2025-04-23
更新時刻
2025-08-18 16:30:27 +0900
ALMLBO PIPELINE APPROACH APPLY TO MATERIAL PROCESS AND COMPOSITION OPTIMIZATION FOR ENERGY-SAVING APPLICATIONS
プレゼンテーション
著者
Cédric Bourgès
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9056-0420
National Institute for Materials Science International Center for Young Scientists
Cédric Bourgès
;
Guillaume Lambard
(author) (
この著者で検索
)
https://orcid.org/0000-0003-0275-4079
National Institute for Materials Science Center for Basic Research on Materials/Data-driven Materials Research Field/Data-driven Materials Design Group
NIMS Researchers Directory SAMURAI
Guillaume Lambard
;
Naoki Sato
(author) (
この著者で検索
)
https://orcid.org/0000-0002-6429-0591
National Institute for Materials Science Research Center for Materials Nanoarchitectonics (MANA)/Nanomaterials Field/Thermal Energy Materials Group
NIMS Researchers Directory SAMURAI
Naoki Sato
;
Makoto Tachibana
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5907-5563
National Institute for Materials Science Research Center for Materials Nanoarchitectonics (MANA)/Nanomaterials Field/Thermal Energy Materials Group
NIMS Researchers Directory SAMURAI
Makoto Tachibana
;
Satoshi Ishii
(author) (
この著者で検索
)
https://orcid.org/0000-0003-0731-8428
National Institute for Materials Science Research Center for Materials Nanoarchitectonics (MANA)/Nanomaterials Field/Optical Nanostructure Team
NIMS Researchers Directory SAMURAI
Satoshi Ishii
;
Takao Mori
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2682-1846
National Institute for Materials Science Research Center for Materials Nanoarchitectonics (MANA)/Nanomaterials Field/Thermal Energy Materials Group
NIMS Researchers Directory SAMURAI
Takao Mori
キーワード
Kesterite
,
Machine learning
,
Process
,
Thermoelectric
,
Ceramic
刊行年月日
更新時刻
2024-10-30 16:30:23 +0900
Reference-free quantitative mass spectrometry in the presence of nonlinear distortion caused by
in situ
chemical reactions among constituents
ジャーナル論文
著者
Yusuke Hibi
(author) (
この著者で検索
)
https://orcid.org/0000-0003-4006-1070
NIMS Researchers Directory SAMURAI
Yusuke Hibi
キーワード
reference-free quantification
,
NMF
,
pyrolysis mass spectrometry
,
nonlinear spectral analysis
,
compositional analysis for interactive systems
刊行年月日
2024-09-13
更新時刻
2025-09-13 08:30:35 +0900
Surface transfer doping of hydrogen-terminated diamond probed by shallow nitrogen-vacancy centers
ジャーナル論文
著者
Taisuke Kageura
(author) (
この著者で検索
)
https://orcid.org/0000-0002-9792-5223
(unauthenticated)
National Institute for Materials Science
Taisuke Kageura
;
Yosuke Sasama
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8358-6101
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Yosuke Sasama
;
Keisuke Yamada
(author) (
この著者で検索
)
Keisuke Yamada
;
Kosuke Kimura
(author) (
この著者で検索
)
Kosuke Kimura
;
Shinobu Onoda
(author) (
この著者で検索
)
Shinobu Onoda
;
Yamaguchi Takahide
(author) (
この著者で検索
)
https://orcid.org/0000-0003-0208-7317
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Yamaguchi Takahide
キーワード
Diamond
,
Transfer doping
,
NV center
,
Two-dimensional hole gas
,
Hydrogen-terminated surface
刊行年月日
2024-07-02
更新時刻
2024-08-29 16:09:18 +0900
Thermally polymerizable phthalocyanine realizes a metal–nitrogen-doped carbon material featuring a defined single-atom catalyst motif with CO
2
RR activity
ジャーナル論文
著者
Yuki Sano
(author) (
この著者で検索
)
Yuki Sano
;
Daichi Nakajima
(author) (
この著者で検索
)
Daichi Nakajima
;
Biplab Manna
(author) (
この著者で検索
)
https://orcid.org/0000-0002-7619-7765
NIMS Researchers Directory SAMURAI
Biplab Manna
;
Koki Chida
(author) (
この著者で検索
)
https://orcid.org/0000-0003-1197-8592
(unauthenticated)
Koki Chida
;
Ryojun Toyoda
(author) (
この著者で検索
)
https://orcid.org/0000-0002-0168-0533
(unauthenticated)
Ryojun Toyoda
;
Shinya Takaishi
(author) (
この著者で検索
)
https://orcid.org/0000-0002-6739-8119
(unauthenticated)
Shinya Takaishi
;
Kazuyuki Iwase
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5196-741X
(unauthenticated)
Kazuyuki Iwase
;
Koji Harano
(author) (
この著者で検索
)
https://orcid.org/0000-0001-6800-8023
NIMS Researchers Directory SAMURAI
Koji Harano
;
Yuta Nishina
(author) (
この著者で検索
)
https://orcid.org/0000-0002-4958-1753
(unauthenticated)
Yuta Nishina
;
Takeharu Yoshii
(author) (
この著者で検索
)
https://orcid.org/0000-0002-1869-6021
(unauthenticated)
Takeharu Yoshii
;
Ryota Sakamoto
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8702-1378
(unauthenticated)
Ryota Sakamoto
キーワード
phthalocyanine
,
catalyst
,
CO2 reduction
,
transmission electron microscopy
刊行年月日
2025-08-26
更新時刻
2025-09-10 16:30:30 +0900
Scalable liposomes functionalization via membrane lipid exchange mechanisms
ジャーナル論文
著者
Xizi Long
(author) (
この著者で検索
)
National Institute for Materials Science
Xizi Long
;
Chiho Kataoka-Hamai
(author) (
この著者で検索
)
https://orcid.org/0000-0002-4068-0405
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Chiho Kataoka-Hamai
;
Chia-Lun Ho
(author) (
この著者で検索
)
National Institute for Materials Science
Chia-Lun Ho
;
Wei-Lun Huang
(author) (
この著者で検索
)
Wei-Lun Huang
;
Yi-Ho Kuo
(author) (
この著者で検索
)
Yi-Ho Kuo
;
Li-Ting Yang
(author) (
この著者で検索
)
Li-Ting Yang
;
Wei-Peng Li
(author) (
この著者で検索
)
National Institute for Materials Science
Wei-Peng Li
;
Akihiro Okamoto
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8102-4316
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Akihiro Okamoto
キーワード
liposome
,
outer-membrane vesicles
,
extracellular electron transport
,
cytochrome
刊行年月日
2025-01-10
更新時刻
2026-01-19 09:54:02 +0900
Electrochemical Characterization of Two Gut Microbial Strains Cooperatively Promoting Multiple Sclerosis Pathogenesis
ジャーナル論文
著者
Divya Naradasu
(author) (
この著者で検索
)
Divya Naradasu
;
Waheed Miran
(author) (
この著者で検索
)
Waheed Miran
;
Akihiro Okamoto
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8102-4316
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Akihiro Okamoto
キーワード
Whole-cell electrochemistry
,
Gut microbes
,
Extracellular electron transfer
刊行年月日
2024-01-25
更新時刻
2024-12-09 16:30:22 +0900
Emerging trends in research and development on earth abundant materials for ammonia degradation coupled with H2 generation
ジャーナル論文
著者
Zakiullah Zaidi
(author) (
この著者で検索
)
Malaysia–Japan International Institute of Technology
Zakiullah Zaidi
;
Kamlesha
(author) (
この著者で検索
)
Kamlesha
;
Yesleen Gupta
(author) (
この著者で検索
)
Malaysia–Japan International Institute of Technology
Yesleen Gupta
;
Sandeep Singhai
(author) (
この著者で検索
)
Sandeep Singhai
;
Manish Mudgal
(author) (
この著者で検索
)
Manish Mudgal
;
Archana Singh
(author) (
この著者で検索
)
CSIR-Advanced Materials Process Research Institute (AMPRI) Bhopal
Archana Singh
キーワード
Nitrogen reduction reaction (NRR)
,
Ammonia decomposition reaction (ADR)
,
Green fuel
,
catalytic oxidation
,
non-noble metal
刊行年月日
2024-12-31
更新時刻
2025-07-16 16:16:23 +0900
Extraordinary Acceleration of an Electrophilic Reaction Driven by the Polar Surface of 2D Aluminosilicate Nanosheets
ジャーナル論文
著者
Nagy L. Torad
(author) (
この著者で検索
)
Nagy L. Torad
;
Yuta Tsuji
(author) (
この著者で検索
)
Yuta Tsuji
;
Azhar Alowasheeir
(author) (
この著者で検索
)
Azhar Alowasheeir
;
Masako Momotake
(author) (
この著者で検索
)
National Institute for Materials Science
Masako Momotake
;
Kazuki Okazawa
(author) (
この著者で検索
)
Kazuki Okazawa
;
Kazunari Yoshizawa
(author) (
この著者で検索
)
Kazunari Yoshizawa
;
Michio Matsumoto
(author) (
この著者で検索
)
https://orcid.org/0000-0002-6037-0228
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Michio Matsumoto
;
Masafumi Yamato
(author) (
この著者で検索
)
Masafumi Yamato
;
Yusuke Yamauchi
(author) (
この著者で検索
)
National Institute for Materials Science
Yusuke Yamauchi
;
Miharu Eguchi
(author) (
この著者で検索
)
https://orcid.org/0000-0002-4007-7438
(unauthenticated)
National Institute for Materials Science
Miharu Eguchi
キーワード
2D Nanosheets
,
layered aluminosilicate
,
catalysts
刊行年月日
2023-01-09
更新時刻
2024-08-29 16:30:36 +0900
Unveiling the principle descriptor for predicting the electron inelastic mean free path based on a machine learning framework
ジャーナル論文
著者
Xun Liu
(author) (
この著者で検索
)
National Institute for Materials Science
Xun Liu
;
Zhufeng Hou
(author) (
この著者で検索
)
Zhufeng Hou
;
Dabao Lu
(author) (
この著者で検索
)
Dabao Lu
;
Bo Da
(author) (
この著者で検索
)
https://orcid.org/0000-0002-0785-8662
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Bo Da
;
Hideki Yoshikawa
(author) (
この著者で検索
)
https://orcid.org/0000-0002-7389-8865
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Hideki Yoshikawa
;
Shigeo Tanuma
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2628-9941
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Shigeo Tanuma
;
Yang Sun
(author) (
この著者で検索
)
Yang Sun
;
Zejun Ding
(author) (
この著者で検索
)
Zejun Ding
キーワード
machine learning
,
inelastic mean free path
,
LASSO
刊行年月日
2019-12-31
更新時刻
2024-09-05 16:30:30 +0900
キーワード
functionally graded materials
(64)
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(57)
graphene
(44)
machine learning
(32)
2D materials
(30)
Machine learning
(25)
hexagonal boron nitride
(24)
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(22)
Spintronics
(22)
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(22)
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(18)
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(18)
diamond
(17)
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(16)
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(15)
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(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)
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(14)
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(14)
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(14)
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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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(12)
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(12)
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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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(10)
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(10)
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(9)
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hydrogen
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doping
(5)
electrolyte
(5)
etching
(5)
focused ion beam
(5)
hydrogen permeation
(5)
ionic liquid
(5)
laser-induced damage
(5)
lithium metal battery
(5)
magnetic field
(5)
martensitic transformation
(5)
multiferroics
(5)
permanent magnets
(5)
self-archiving
(5)
RDEメタデータ定義
RDE送り状
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