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計算手法
密度汎関数理論または電子構造 (2)
https://matvoc.nims.go.jp/entity/Q21 (1)
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3162 件のレコードが見つかりました。
Self-Consistency Error Correction for Accurate Machine Learning Potentials from Variational Monte Carlo
ジャーナル論文
著者
Giacomo Tenti
(author) (
この著者で検索
)
Giacomo Tenti
;
Kousuke Nakano
(author) (
この著者で検索
)
https://orcid.org/0000-0001-7756-4355
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Kousuke Nakano
;
Michele Casula
(author) (
この著者で検索
)
Michele Casula
キーワード
Quantum Monte Carlo
,
Variational Monte Carlo
,
Atomic forces
刊行年月日
2025-10-14
更新時刻
2025-12-02 08:30:12 +0900
Self-aligned and self-limiting van der Waals epitaxy of monolayer MoS2 for scalable 2D electronics
ジャーナル論文
著者
Yoshiki Sakuma
(author) (
この著者で検索
)
https://orcid.org/0000-0001-6804-7217
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Yoshiki Sakuma
;
Keisuke Atsumi
(author) (
この著者で検索
)
Keisuke Atsumi
;
Takanobu Hiroto
(author) (
この著者で検索
)
https://orcid.org/0000-0002-6176-5782
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Takanobu Hiroto
;
Jun Nara
(author) (
この著者で検索
)
https://orcid.org/0000-0002-0486-2981
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Jun Nara
;
Akihiro Ohtake
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3519-4613
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Akihiro Ohtake
;
Yuki Ono
(author) (
この著者で検索
)
Yuki Ono
;
Takashi Matsumoto
(author) (
この著者で検索
)
Takashi Matsumoto
;
Yukihiro Muta
(author) (
この著者で検索
)
Yukihiro Muta
;
Kai Takeda
(author) (
この著者で検索
)
Kai Takeda
;
Emi Kano
(author) (
この著者で検索
)
Emi Kano
;
Toshiki Yasuno
(author) (
この著者で検索
)
Toshiki Yasuno
;
Xu Yang
(author) (
この著者で検索
)
Xu Yang
;
Nobuyuki Ikarashi
(author) (
この著者で検索
)
Nobuyuki Ikarashi
;
Asato Suzuki
(author) (
この著者で検索
)
Asato Suzuki
;
Michio Ikezawa
(author) (
この著者で検索
)
Michio Ikezawa
;
Shuhong Li
(author) (
この著者で検索
)
Shuhong Li
;
Tomonori Nishimura
(author) (
この著者で検索
)
Tomonori Nishimura
;
Kaito Kanahashi
(author) (
この著者で検索
)
Kaito Kanahashi
;
Kosuke Nagashio
(author) (
この著者で検索
)
Kosuke Nagashio
キーワード
MoS2
,
epitaxial growth
,
MOCVD
刊行年月日
2026-01-21
更新時刻
2026-01-29 16:30:04 +0900
Decoupled charge and heat transport in Fe2VAl composite thermoelectrics with topological-insulating grain boundary networks
ジャーナル論文
著者
Fabian Garmroudi
(author) (
この著者で検索
)
Fabian Garmroudi
;
Illia Serhiienko
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3072-9412
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Illia Serhiienko
;
Michael Parzer
(author) (
この著者で検索
)
Michael Parzer
;
Sanyukta Ghosh
(author) (
この著者で検索
)
Sanyukta Ghosh
;
Pawel Ziolkowski
(author) (
この著者で検索
)
Pawel Ziolkowski
;
Gregor Oppitz
(author) (
この著者で検索
)
Gregor Oppitz
;
Hieu Duy Nguyen
(author) (
この著者で検索
)
Hieu Duy Nguyen
;
Cédric Bourgès
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9056-0420
National Institute for Materials Science
Cédric Bourgès
;
Yuya Hattori
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3805-4659
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Yuya Hattori
;
Alexander Riss
(author) (
この著者で検索
)
Alexander Riss
;
Sebastian Steyrer
(author) (
この著者で検索
)
Sebastian Steyrer
;
Gerda Rogl
(author) (
この著者で検索
)
Gerda Rogl
;
Peter Rogl
(author) (
この著者で検索
)
Peter Rogl
;
Erhard Schafler
(author) (
この著者で検索
)
Erhard Schafler
;
Naoyuki Kawamoto
(author) (
この著者で検索
)
https://orcid.org/0000-0002-2022-3987
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Naoyuki Kawamoto
;
Eckhard Müller
(author) (
この著者で検索
)
Eckhard Müller
;
Ernst Bauer
(author) (
この著者で検索
)
Ernst Bauer
;
Johannes de Boor
(author) (
この著者で検索
)
Johannes de Boor
;
Takao Mori
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2682-1846
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Takao Mori
キーワード
thermoelectric
刊行年月日
2025-03-26
更新時刻
2025-11-10 16:30:43 +0900
Steric effects in the adsorption of O
2
on a Cu(111) surface
ジャーナル論文
著者
Lok Yiu Wu
(author) (
この著者で検索
)
Lok Yiu Wu
;
Maksymilian J. Roman
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5113-9470
(unauthenticated)
Maksymilian J. Roman
;
Brianna R. Heazlewood
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2073-4004
(unauthenticated)
Brianna R. Heazlewood
;
Mitsunori Kurahashi
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3802-4513
NIMS Researchers Directory SAMURAI
Mitsunori Kurahashi
キーワード
O2
,
Copper
,
Adsorption
,
Steric effect
刊行年月日
2025-02-12
更新時刻
2025-03-26 17:25:39 +0900
Artificial Intelligence‐Driven Nanoarchitectonics for Smart Targeted Drug Delivery
ジャーナル論文
著者
Hayeon Bae
(author) (
この著者で検索
)
Hayeon Bae
;
Hyunsub Ji
(author) (
この著者で検索
)
Hyunsub Ji
;
Konstantin Konstantinov
(author) (
この著者で検索
)
Konstantin Konstantinov
;
Ronald Sluyter
(author) (
この著者で検索
)
Ronald Sluyter
;
Katsuhiko Ariga
(author) (
この著者で検索
)
https://orcid.org/0000-0002-2445-2955
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Katsuhiko Ariga
;
Yong Ho Kim
(author) (
この著者で検索
)
Yong Ho Kim
;
Jung Ho Kim
(author) (
この著者で検索
)
Jung Ho Kim
キーワード
artificial intelligence
,
in silico optimization
,
machine learning
,
nanocarrier design
,
nanomedicine
,
targeted drug delivery
刊行年月日
2025-08-07
更新時刻
2025-10-28 12:30:13 +0900
Observation of hyperbolic intersubband polaritons in native-dielectric-doped van der Waals semiconductor quantum wells
ジャーナル論文
著者
Yue Luo
(author) (
この著者で検索
)
Yue Luo
;
Dapeng Ding
(author) (
この著者で検索
)
Dapeng Ding
;
Andres M. Mier Valdivia
(author) (
この著者で検索
)
Andres M. Mier Valdivia
;
Daniel T. Larson
(author) (
この著者で検索
)
Daniel T. Larson
;
Song Liu
(author) (
この著者で検索
)
Song Liu
;
Hong Kuan Ng
(author) (
この著者で検索
)
Hong Kuan Ng
;
Jing Wu
(author) (
この著者で検索
)
Jing Wu
;
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
;
Efthimios Kaxiras
(author) (
この著者で検索
)
Efthimios Kaxiras
;
Hongkun Park
(author) (
この著者で検索
)
Hongkun Park
;
Philip Kim
(author) (
この著者で検索
)
Philip Kim
;
William L. Wilson
(author) (
この著者で検索
)
William L. Wilson
キーワード
intersubband polaritons
,
van der Waals quantum wells
,
WSe2
刊行年月日
2025-11-19
更新時刻
2026-05-11 13:06:31 +0900
3rd International Symposium on Structural and Functional Gradient Materials FGM'94 PROCEEDINGS (pp.495-711)
データセット
コレクション
FGMs Database
著者
National Institute for Materials Science
(author) (
この著者で検索
)
National Institute for Materials Science
キーワード
functionally graded materials
刊行年月日
更新時刻
2022-10-03 01:24:36 +0900
Non-Adiabatic Excited-State Time-Dependent GW (TDGW) Molecular Dynamics Simulation of Nickel-Atom Aided Photolysis of Methane to Produce a Hydrogen Molecule
ジャーナル論文
著者
Aaditya Manjanath
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2223-5954
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Aaditya Manjanath
;
Ryoji Sahara
(author) (
この著者で検索
)
https://orcid.org/0000-0003-0788-2985
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Ryoji Sahara
;
Yoshiyuki Kawazoe
(author) (
この著者で検索
)
Yoshiyuki Kawazoe
;
Kaoru Ohno
(author) (
この著者で検索
)
Kaoru Ohno
キーワード
Ni atom
,
quasiparticle
,
Koopmans’ theorem
,
GW approximation
,
CH4
,
photochemistry
,
surface hopping
刊行年月日
2024-11-05
更新時刻
2024-11-30 16:30:41 +0900
Relationship between network topology and negative electrode properties in Wadsley–Roth phase TiNb2O7
ジャーナル論文
著者
Naoto Kitamura
(author) (
この著者で検索
)
Naoto Kitamura
;
Hikari Matsubara
(author) (
この著者で検索
)
Hikari Matsubara
;
Koji Kimura
(author) (
この著者で検索
)
Koji Kimura
;
Ippei Obayashi
(author) (
この著者で検索
)
Ippei Obayashi
;
Yohei Onodera
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3080-6991
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Yohei Onodera
;
Ken Nakashima
(author) (
この著者で検索
)
Ken Nakashima
;
Hidetoshi Morita
(author) (
この著者で検索
)
Hidetoshi Morita
;
Motoki Shiga
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2434-4716
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Motoki Shiga
;
Yasuhiro Harada
(author) (
この著者で検索
)
Yasuhiro Harada
;
Chiaki Ishibashi
(author) (
この著者で検索
)
Chiaki Ishibashi
;
Yasushi Idemoto
(author) (
この著者で検索
)
Yasushi Idemoto
;
Koichi Hayashi
(author) (
この著者で検索
)
Koichi Hayashi
キーワード
lithium-ion batteries
,
persistent homology
刊行年月日
2024-12-10
更新時刻
2024-12-18 16:30:39 +0900
Generation and control of nonlocal chiral currents in graphene superlattices by orbital Hall effect
ジャーナル論文
著者
Juan Salvador-Sánchez
(author) (
この著者で検索
)
Juan Salvador-Sánchez
;
Luis M. Canonico
(author) (
この著者で検索
)
Luis M. Canonico
;
Ana Pérez-Rodríguez
(author) (
この著者で検索
)
Ana Pérez-Rodríguez
;
Tarik P. Cysne
(author) (
この著者で検索
)
Tarik P. Cysne
;
Yuriko Baba
(author) (
この著者で検索
)
Yuriko Baba
;
Vito Clericò
(author) (
この著者で検索
)
Vito Clericò
;
Marc Vila
(author) (
この著者で検索
)
Marc Vila
;
Daniel Vaquero
(author) (
この著者で検索
)
Daniel Vaquero
;
Juan Antonio Delgado-Notario
(author) (
この著者で検索
)
Juan Antonio Delgado-Notario
;
José M. Caridad
(author) (
この著者で検索
)
José M. Caridad
;
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
;
Rafael A. Molina
(author) (
この著者で検索
)
Rafael A. Molina
;
Francisco Domínguez-Adame
(author) (
この著者で検索
)
Francisco Domínguez-Adame
;
Stephan Roche
(author) (
この著者で検索
)
Stephan Roche
;
Enrique Diez
(author) (
この著者で検索
)
Enrique Diez
;
Tatiana G. Rappoport
(author) (
この著者で検索
)
Tatiana G. Rappoport
;
Mario Amado
(author) (
この著者で検索
)
Mario Amado
キーワード
Superlattices
,
orbitronics
,
nonlocal transport
刊行年月日
2024-05-28
更新時刻
2025-02-23 22:47:22 +0900
キーワード
functionally graded materials
(64)
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(61)
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(48)
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(44)
SPring-8
(38)
BL46XU
(37)
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(37)
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(36)
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(34)
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(27)
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(25)
hexagonal boron nitride
(25)
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(22)
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(22)
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(19)
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(19)
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(17)
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(16)
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(16)
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(16)
diamond
(16)
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(16)
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(15)
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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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(13)
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(13)
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(13)
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(13)
fiber fuse
(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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(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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(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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(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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(9)
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(9)
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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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Structure
(6)
SuperCon
(6)
TPP-2M
(6)
Thin films
(6)
Twisted bilayer graphene
(6)
X-ray photoelectron spectroscopy
(6)
active learning
(6)
all solid state batteries
(6)
carbon nanotubes
(6)
catalyst
(6)
chirality
(6)
critical current
(6)
electron inelastic mean free path
(6)
electron inelastic mean free paths
(6)
flexural strength
(6)
glass
(6)
high pressure
(6)
lithium oxygen battery
(6)
multiferroics
(6)
self-archiving
(6)
silicon
(6)
solid electrolytes
(6)
thin film
(6)
thin films
(6)
transverse thermoelectric conversion
(6)
van der Waals heterostructure
(6)
β-Ga2O3
(6)
Boron-doped diamond
(5)
Device stability
(5)
Droplet Epitaxy
(5)
ELO
(5)
Fine Structure Splitting
(5)
Hydrogen embrittlement
(5)
Josephson junctions
(5)
Magic-angle twisted bilayer graphene
(5)
Magnetic material
(5)
Magnetoresistance
(5)
Nanoparticle
(5)
Nanoparticles
(5)
Neuromorphic computing
(5)
Perovskite Solar Cells
(5)
Photoluminescence
(5)
Polymer chemistry knowledge
(5)
Quantum Hall effect
(5)
Reservoir computing
(5)
Strength
(5)
Superconductors
(5)
Tin perovskite
(5)
XPS
(5)
additive manufacturing
(5)
adhesive
(5)
artificial intelligence
(5)
cathodoluminescence
(5)
RDEメタデータ定義
RDE送り状
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