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密度汎関数理論または電子構造 (1)
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1418 件のレコードが見つかりました。
Subphase exploration for SmFe12-based permanent magnets by Gibbs energies obtained with first-principles cluster-expansion method
ジャーナル論文
著者
Satoru Enomoto
(author) (
この著者で検索
)
Satoru Enomoto
;
Sonju Kou
(author) (
この著者で検索
)
Sonju Kou
;
Taichi Abe
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5065-0939
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Taichi Abe
;
Yoshihiro Gohda
(author) (
この著者で検索
)
Yoshihiro Gohda
キーワード
Phase stability
,
CALHPAD
,
Ab initio calculations
刊行年月日
2023-04-11
更新時刻
2025-04-16 08:30:24 +0900
High-Throughput Computational Screening of Two-Dimensional Semiconductors
ジャーナル論文
著者
Vei Wang
(author) (
この著者で検索
)
Xi’an University of Technology
Vei Wang
;
Gang Tang
(author) (
この著者で検索
)
Beijing Institute of Technology
Gang Tang
;
Ya-Chao Liu
(author) (
この著者で検索
)
Xi’an University of Technology
Ya-Chao Liu
;
Ren-Tao Wang
(author) (
この著者で検索
)
Xi’an University of Technology
Ren-Tao Wang
;
Hiroshi Mizuseki
(author) (
この著者で検索
)
Korea Institute of Science and Technology
Hiroshi Mizuseki
;
Yoshiyuki Kawazoe
(author) (
この著者で検索
)
New Industry Creation Hatchery Center, Tohoku University, Sendai 980–8579, Japan
Yoshiyuki Kawazoe
;
Jun Nara
(author) (
この著者で検索
)
National Institute for Materials Science International Center for Materials Nanoarchitectonics/Nano-Theory Field/First-Principles Simulation Group
Jun Nara
;
Wen Tong Geng
(author) (
この著者で検索
)
Hainan University
Wen Tong Geng
キーワード
DFT
,
2D Materials
刊行年月日
2022-12-22
更新時刻
2023-12-25 15:17:40 +0900
Materials Acceleration Platforms (MAPs): Accelerating Materials Research and Development to Meet Urgent Societal Challenges
ジャーナル論文
著者
Simon P. Stier
(author) (
この著者で検索
)
https://orcid.org/0000-0003-0410-3616
(unauthenticated)
Simon P. Stier
;
Christoph Kreisbeck
(author) (
この著者で検索
)
Christoph Kreisbeck
;
Holger Ihssen
(author) (
この著者で検索
)
Holger Ihssen
;
Matthias Albert Popp
(author) (
この著者で検索
)
https://orcid.org/0000-0001-7620-1245
(unauthenticated)
Matthias Albert Popp
;
Jens Hauch
(author) (
この著者で検索
)
https://orcid.org/0000-0003-4384-2112
(unauthenticated)
Jens Hauch
;
Kourosh Malek
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3021-0813
(unauthenticated)
Kourosh Malek
;
Marine Reynaud
(author) (
この著者で検索
)
https://orcid.org/0000-0002-0156-8701
(unauthenticated)
Marine Reynaud
;
T.P.M. Goumans
(author) (
この著者で検索
)
T.P.M. Goumans
;
Johan Carlsson
(author) (
この著者で検索
)
https://orcid.org/0000-0002-1596-0923
(unauthenticated)
Johan Carlsson
;
Ilian Todorov
(author) (
この著者で検索
)
Ilian Todorov
;
Lukas Gold
(author) (
この著者で検索
)
https://orcid.org/0000-0001-7444-2969
(unauthenticated)
Lukas Gold
;
Andreas Räder
(author) (
この著者で検索
)
https://orcid.org/0000-0002-2673-0832
(unauthenticated)
Andreas Räder
;
Wolfgang Wenzel
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9487-4689
(unauthenticated)
Wolfgang Wenzel
;
Shahbaz Tareq Bandesha
(author) (
この著者で検索
)
https://orcid.org/0000-0002-9365-8703
(unauthenticated)
Shahbaz Tareq Bandesha
;
Philippe Jacques
(author) (
この著者で検索
)
Philippe Jacques
;
Francisco Garcia‐Moreno
(author) (
この著者で検索
)
https://orcid.org/0000-0001-6114-0240
(unauthenticated)
Francisco Garcia‐Moreno
;
Oier Arcelus
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9075-3820
(unauthenticated)
Oier Arcelus
;
Pascal Friederich
(author) (
この著者で検索
)
https://orcid.org/0000-0003-4465-1465
(unauthenticated)
Pascal Friederich
;
Simon Clark
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8758-6109
(unauthenticated)
Simon Clark
;
Mario Maglione
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5747-8879
(unauthenticated)
Mario Maglione
;
Anssi Laukkanen
(author) (
この著者で検索
)
https://orcid.org/0000-0002-2308-744X
(unauthenticated)
Anssi Laukkanen
;
Ivano Eligio Castelli
(author) (
この著者で検索
)
https://orcid.org/0000-0001-5880-5045
(unauthenticated)
Ivano Eligio Castelli
;
Javier Carrasco
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3117-6933
(unauthenticated)
Javier Carrasco
;
Montserrat Casas Cabanas
(author) (
この著者で検索
)
https://orcid.org/0000-0002-9298-2333
(unauthenticated)
Montserrat Casas Cabanas
;
Helge Sören Stein
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3461-0232
(unauthenticated)
Helge Sören Stein
;
Ozlem Ozcan
(author) (
この著者で検索
)
https://orcid.org/0000-0003-1965-7996
(unauthenticated)
Ozlem Ozcan
;
David Elbert
(author) (
この著者で検索
)
https://orcid.org/0000-0002-2292-180X
(unauthenticated)
David Elbert
;
Karsten Reuter
(author) (
この著者で検索
)
https://orcid.org/0000-0001-8473-8659
(unauthenticated)
Karsten Reuter
;
Christoph Scheurer
(author) (
この著者で検索
)
Christoph Scheurer
;
Masahiko Demura
(author) (
この著者で検索
)
https://orcid.org/0000-0002-7308-3041
NIMS Researchers Directory SAMURAI
Masahiko Demura
;
Sang Soo Han
(author) (
この著者で検索
)
Sang Soo Han
;
Tejs Vegge
(author) (
この著者で検索
)
https://orcid.org/0000-0002-1484-0284
(unauthenticated)
Tejs Vegge
;
Sawako Nakamae
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9174-3165
(unauthenticated)
Sawako Nakamae
;
Monica Fabrizio
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2257-8375
(unauthenticated)
Monica Fabrizio
;
Mark Kozdras
(author) (
この著者で検索
)
https://orcid.org/0000-0001-5113-3047
(unauthenticated)
Mark Kozdras
キーワード
advanced materials
,
artificial intelligence
,
autonomous labs
,
materials acceleration platforms
,
societal challenges
刊行年月日
2024-09-06
更新時刻
2024-11-11 16:30:34 +0900
Novel numerical approach for reliability-assurance of ceramics by combining self-crack-healing with proof testing
ジャーナル論文
著者
Taiyo Maeda
(author) (
この著者で検索
)
Taiyo Maeda
;
Toshio Osada
(author) (
この著者で検索
)
https://orcid.org/0000-0003-1539-9264
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Toshio Osada
;
Shingo Ozaki
(author) (
この著者で検索
)
Shingo Ozaki
キーワード
Finite element analysis
,
Self-healing ceramics
,
Proof test
,
Oxidation kinetics
,
Fracture mechanics
,
Weibull distribution
刊行年月日
2023-11-03
更新時刻
2025-11-04 08:30:21 +0900
Antiferromagnetic Films and Their Applications
ジャーナル論文
著者
Atsufumi Hirohata
(author) (
この著者で検索
)
Atsufumi Hirohata
;
David C. Lloyd
(author) (
この著者で検索
)
David C. Lloyd
;
Takahide Kubota
(author) (
この著者で検索
)
Takahide Kubota
;
Takeshi Seki
(author) (
この著者で検索
)
Takeshi Seki
;
Koki Takanashi
(author) (
この著者で検索
)
Koki Takanashi
;
Hiroaki Sukegawa
(author) (
この著者で検索
)
https://orcid.org/0000-0002-4034-7848
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Hiroaki Sukegawa
;
Zhenchao Wen
(author) (
この著者で検索
)
https://orcid.org/0000-0001-7496-1339
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Zhenchao Wen
;
Seiji Mitani
(author) (
この著者で検索
)
https://orcid.org/0000-0002-1348-0774
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Seiji Mitani
;
Hiroki Koizumi
(author) (
この著者で検索
)
Hiroki Koizumi
キーワード
spintronics
,
antiferromagnetic materials
,
thin films
刊行年月日
2023-10-20
更新時刻
2024-12-10 16:56:14 +0900
Finite Element Analysis of
R
‐Curve Behavior in Ceramics Using the Damage Model Based on the Cohesive‐Zone Relationship
ジャーナル論文
著者
Mostafizur Rahman
(author) (
この著者で検索
)
Mostafizur Rahman
;
Taiyo Maeda
(author) (
この著者で検索
)
Taiyo Maeda
;
Toshio Osada
(author) (
この著者で検索
)
https://orcid.org/0000-0003-1539-9264
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Toshio Osada
;
Shingo Ozaki
(author) (
この著者で検索
)
National Institute for Materials Science
Shingo Ozaki
キーワード
Ceramics
,
Damage model
,
Finite element analysis
,
R-curve behavior
,
Toughness
刊行年月日
2025-09-17
更新時刻
2025-09-26 16:30:21 +0900
Nanometer-thick Si/Al gradient materials for spin torque generation
ジャーナル論文
著者
Taisuke Horaguchi
(author) (
この著者で検索
)
https://orcid.org/0009-0000-7435-6075
(unauthenticated)
Taisuke Horaguchi
;
Cong He
(author) (
この著者で検索
)
https://orcid.org/0000-0002-7548-9344
(unauthenticated)
Cong He
;
Zhenchao Wen
(author) (
この著者で検索
)
https://orcid.org/0000-0001-7496-1339
NIMS Researchers Directory SAMURAI
Zhenchao Wen
;
Hayato Nakayama
(author) (
この著者で検索
)
https://orcid.org/0009-0006-0510-2454
(unauthenticated)
Hayato Nakayama
;
Tadakatsu Ohkubo
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3548-1951
NIMS Researchers Directory SAMURAI
Tadakatsu Ohkubo
;
Seiji Mitani
(author) (
この著者で検索
)
https://orcid.org/0000-0002-1348-0774
NIMS Researchers Directory SAMURAI
Seiji Mitani
;
Hiroaki Sukegawa
(author) (
この著者で検索
)
https://orcid.org/0000-0002-4034-7848
NIMS Researchers Directory SAMURAI
Hiroaki Sukegawa
;
Junji Fujimoto
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5669-1299
(unauthenticated)
Junji Fujimoto
;
Kazuto Yamanoi
(author) (
この著者で検索
)
https://orcid.org/0000-0001-5356-0712
(unauthenticated)
Kazuto Yamanoi
;
Mamoru Matsuo
(author) (
この著者で検索
)
https://orcid.org/0000-0003-1303-7614
(unauthenticated)
Mamoru Matsuo
;
Yukio Nozaki
(author) (
この著者で検索
)
https://orcid.org/0000-0002-7262-0124
(unauthenticated)
Yukio Nozaki
キーワード
spintronics
刊行年月日
2025-05-09
更新時刻
2025-05-16 16:30:19 +0900
Topological Flat-Band-Driven Metallic Thermoelectricity
ジャーナル論文
著者
Fabian Garmroudi
(author) (
この著者で検索
)
Fabian Garmroudi
;
Jennifer Coulter
(author) (
この著者で検索
)
Jennifer Coulter
;
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
;
Simone Di Cataldo
(author) (
この著者で検索
)
Simone Di Cataldo
;
Michael Parzer
(author) (
この著者で検索
)
Michael Parzer
;
Alexander Riss
(author) (
この著者で検索
)
Alexander Riss
;
Matthias Grasser
(author) (
この著者で検索
)
Matthias Grasser
;
Simon Stockinger
(author) (
この著者で検索
)
Simon Stockinger
;
Sergii Khmelevskyi
(author) (
この著者で検索
)
Sergii Khmelevskyi
;
Kacper Pryga
(author) (
この著者で検索
)
Kacper Pryga
;
Bartlomiej Wiendlocha
(author) (
この著者で検索
)
Bartlomiej Wiendlocha
;
Karsten Held
(author) (
この著者で検索
)
Karsten Held
;
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
;
Ernst Bauer
(author) (
この著者で検索
)
Ernst Bauer
;
Antoine Georges
(author) (
この著者で検索
)
Antoine Georges
;
Andrej Pustogow
(author) (
この著者で検索
)
Andrej Pustogow
キーワード
thermoelectric
刊行年月日
2025-05-14
更新時刻
2025-11-11 16:30:10 +0900
Geometrically engineered organoid units and their assembly for pre-construction of organ structures
ジャーナル論文
著者
Ayaka Kadotani
(author) (
この著者で検索
)
Ayaka Kadotani
;
Gen Hayase
(author) (
この著者で検索
)
https://orcid.org/0000-0003-1970-6129
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Gen Hayase
;
Daisuke Yoshino
(author) (
この著者で検索
)
Daisuke Yoshino
キーワード
tissue engineering
,
superhydrophobic substrate
,
organoid
,
unit construction method
刊行年月日
2024-12-01
更新時刻
2024-12-03 16:31:14 +0900
Effect of Co on twin formation and magnetic properties of Sm(Fe,Ti,V)12 alloys
ジャーナル論文
著者
P. Tozman
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8848-0197
(unauthenticated)
P. Tozman
;
G. Hrkac
(author) (
この著者で検索
)
G. Hrkac
;
C.E. Patrick
(author) (
この著者で検索
)
https://orcid.org/0000-0002-1843-1269
(unauthenticated)
C.E. Patrick
;
J.B. Staunton
(author) (
この著者で検索
)
J.B. Staunton
;
T. Saito
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9537-5072
(unauthenticated)
T. Saito
;
T. Sasaki
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5952-7638
NIMS Researchers Directory SAMURAI
T. Sasaki
;
T. Ohkubo
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3548-1951
NIMS Researchers Directory SAMURAI
T. Ohkubo
;
H. Sepehri-Amin
(author) (
この著者で検索
)
https://orcid.org/0000-0002-7856-7897
NIMS Researchers Directory SAMURAI
H. Sepehri-Amin
キーワード
Permanent magnet
,
SmFe12
,
Twin formation
,
intrinsic magnetic properties
刊行年月日
2024-12-07
更新時刻
2025-01-07 16:31:00 +0900
キーワード
functionally graded materials
(37)
thermoelectric
(32)
graphene
(22)
2D materials
(19)
Spintronics
(19)
transmission electron microscopy
(15)
Diamond
(13)
Machine learning
(13)
nanomechanical sensors
(12)
hexagonal boron nitride
(11)
spintronics
(11)
Graphene
(10)
photoluminescence
(10)
GaN
(9)
Magnetic tunnel junction
(9)
WSe2
(9)
atom probe tomography
(9)
organic semiconductor
(9)
MoS2
(8)
Transition metal dichalcogenides
(8)
Tunnel magnetoresistance
(8)
machine learning
(8)
transition metal dichalcogenides
(8)
Ga2O3
(7)
MEMS
(7)
diamond
(7)
magnetic properties
(7)
magnetism
(7)
nanoarchitectonics
(7)
DFT
(6)
GaAs
(6)
NMR
(6)
Oxide
(6)
Perovskite
(6)
Superconductivity
(6)
Twisted bilayer graphene
(6)
X-ray diffraction
(6)
anomalous Hall effect
(6)
gallium nitride
(6)
semiconductor
(6)
van der Waals heterostructures
(6)
Excitons
(5)
Josephson junction
(5)
Josephson junctions
(5)
Mechanobiology
(5)
Nanoarchitectonics
(5)
density functional theory
(5)
doping
(5)
electronic structure
(5)
fiber fuse
(5)
first-principles calculation
(5)
high pressure
(5)
hydrogen
(5)
materials informatics
(5)
mechanical properties
(5)
nanowire
(5)
neutron diffraction
(5)
phase transition
(5)
scanning tunneling microscopy
(5)
superconductivity
(5)
金属材料技術研究所
(5)
3D printing
(4)
Ceramics
(4)
Curie temperature
(4)
FePt
(4)
First-principles calculation
(4)
HAXPES
(4)
Heusler alloys
(4)
Hydrogen
(4)
Laser powder bed fusion
(4)
Luminescence
(4)
Magnetism
(4)
Magnetoresistance
(4)
Metallic
(4)
NV center
(4)
Organic
(4)
REPM2025
(4)
Raman spectroscopy
(4)
Structure
(4)
SuperCon
(4)
Superconductors
(4)
Van der Waals heterostructures
(4)
anomalous Nernst effect
(4)
bilayer graphene
(4)
carbon nanotubes
(4)
cathodoluminescence
(4)
electrolyte
(4)
electron microscopy
(4)
excitons
(4)
glass
(4)
high-pressure synthesis
(4)
interface
(4)
lithium metal battery
(4)
luminescence
(4)
magnetic field
(4)
nanoindentation
(4)
optical fiber
(4)
phonon
(4)
phosphor
(4)
scanning transmission electron microscopy
(4)
superconductor
(4)
thermal conductivity
(4)
thermoelectric materials
(4)
tunnel magnetoresistance
(4)
zeolite
(4)
(111)A
(3)
A-site columnar-ordered perovskites
(3)
A-site-ordered quadruple perovskites
(3)
Additive manufacturing
(3)
Alaska pollock-derived gelatin
(3)
Bayesian optimization
(3)
Cu
(3)
DNA
(3)
Defects
(3)
Device stability
(3)
Droplet Epitaxy
(3)
FeSe
(3)
Fine Structure Splitting
(3)
Finite element analysis
(3)
HVPE
(3)
Hexagonal boron nitride
(3)
IMFP
(3)
InAs
(3)
Interface
(3)
Magic-angle twisted bilayer graphene
(3)
Magnetic anisotropy
(3)
Magnetic material
(3)
Magnetic recording
(3)
Magnetocaloric effect
(3)
Microstructure
(3)
MoSe2 monolayer
(3)
MoTe2
(3)
Moiré superlattices
(3)
Nanoparticle
(3)
Nonreciprocal transport
(3)
OLED
(3)
Optoelectronics
(3)
PEMFCs
(3)
Permanent magnet
(3)
Perovskite solar cells
(3)
Photoluminescence
(3)
Plasmonics
(3)
Quantum Hall effect
(3)
Reservoir computing
(3)
ScN
(3)
Self-assembly
(3)
Sintering
(3)
Spin caloritronics
(3)
Thermal conductivity
(3)
Thermoelectric
(3)
Thin films
(3)
Tin perovskite
(3)
X-ray absorption spectroscopy
(3)
ZnO
(3)
artificial intelligence
(3)
band structure
(3)
boron
(3)
carbon nanotube
(3)
catalyst
(3)
chemical vapor deposition
(3)
chirality
(3)
coordination polymers
(3)
creep
(3)
crystal growth
(3)
defect
(3)
electroluminescence
(3)
electron energy loss spectroscopy
(3)
electronic properties
(3)
ferroelectricity
(3)
ferromagnetism
(3)
flexural strength
(3)
graphene oxide
(3)
hydrogel
(3)
iron-based superconductor
(3)
layered material
(3)
local probe
(3)
magnetic sensor
(3)
magnetic structures
(3)
metal-organic frameworks
(3)
multiferroics
(3)
on-surface synthesis
(3)
optical fuse
(3)
optical properties
(3)
phase separation
(3)
photoemission spectroscopy
(3)
sorption kinetics
(3)
structure
(3)
supercapacitor
(3)
surface
(3)
thermal management
(3)
thin films
(3)
two-dimensional electron gas
(3)
van der Waals
(3)
van der Waals heterostructures
(3)
第一原理量子モンテカルロ法
(3)
1/f noise
(2)
2D semiconductors
(2)
Adsorption
(2)
Alpha formation
(2)
Ammonia borane
(2)
RDEメタデータ定義
RDE送り状
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