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MDR phonon calculation database(10023)
MDR XAFS DB(1857)
MDR lattice thermal conductivity calculation database(157)
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)(70)
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method(70)
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Phonon (10164)
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collection - MDR XAFS DB (1857)
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Si(111) (1108)
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試料の化学組成
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計算手法
https://matvoc.nims.go.jp/entity/Q21 (1)
密度汎関数理論または電子構造 (1)
解析分野
分光法 (1856)
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X線吸収分光法 (1856)
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試料の構造的特徴
局所構造 (1856)
10000 件のレコードが見つかりました。
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
Liquid electrolyte informatics using an exhaustive search with linear regression
データセット
著者
SODEYAMA, Keitaro
(author) (
この著者で検索
)
https://orcid.org/0000-0002-9228-0729
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
SODEYAMA, Keitaro
;
IGARASHI, Yasuhiko
(author) (
この著者で検索
)
https://orcid.org/0000-0003-1042-6657
(unauthenticated)
IGARASHI, Yasuhiko
;
NAKAYAMA, Tomofumi
(author) (
この著者で検索
)
https://orcid.org/0000-0003-1240-3571
(unauthenticated)
NAKAYAMA, Tomofumi
;
TATEYAMA, Yoshitaka
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5532-6134
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
TATEYAMA, Yoshitaka
;
OKADA, Masato
(author) (
この著者で検索
)
https://orcid.org/0000-0002-9040-8784
(unauthenticated)
OKADA, Masato
キーワード
molecules
,
Li-ion battery
,
quantum chemistry calculations
,
materials informatics
,
Gaussian09
,
organic solvents
刊行年月日
2018-06-14
更新時刻
2024-02-08 17:54:30 +0900
First-principles thermodynamic modeling for the Al-Nb-Ni ternary system
ジャーナル論文
著者
Arkapol Saengdeejing
(author) (
この著者で検索
)
https://orcid.org/0000-0001-8739-3262
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Arkapol Saengdeejing
;
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
;
Yoshiaki Toda
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8343-2890
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Yoshiaki Toda
キーワード
CALPHAD
,
density functional theory
,
SQS
,
first principles
,
thermodynamic database
,
Al-Nb-Ni
刊行年月日
2024-12-31
更新時刻
2024-12-05 12:47:48 +0900
Automated synthesis and fragment descriptor-based machine learning for retention time prediction in supercritical fluid chromatography
ジャーナル論文
著者
Sitanan Sartyoungkul
(author) (
この著者で検索
)
Sitanan Sartyoungkul
;
Balasubramaniyan Sakthivel
(author) (
この著者で検索
)
Balasubramaniyan Sakthivel
;
Pavel Sidorov
(author) (
この著者で検索
)
https://orcid.org/0000-0001-6462-702X
(unauthenticated)
Pavel Sidorov
;
Yuuya Nagata
(author) (
この著者で検索
)
https://orcid.org/0000-0001-5926-5845
(unauthenticated)
Yuuya Nagata
キーワード
Automated synthesis
,
Fragment descriptor
,
Machine learning
,
Retention time prediction
,
Supercritical fluid chromatography
刊行年月日
2025-11-26
更新時刻
2025-12-24 15:05:55 +0900
Precipitation behavior and anisotropic creep deformation behavior of laser powder bed fusion processed Hastelloy X at 1173 K
ジャーナル論文
著者
Tomotaka Hatakeyama
(author) (
この著者で検索
)
https://orcid.org/0000-0002-2904-8177
NIMS Researchers Directory SAMURAI
Tomotaka Hatakeyama
;
Kota Sawada
(author) (
この著者で検索
)
https://orcid.org/0000-0001-7780-1648
NIMS Researchers Directory SAMURAI
Kota Sawada
;
Masahiro Kusano
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5061-0195
NIMS Researchers Directory SAMURAI
Masahiro Kusano
;
Makoto Watanabe
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5064-9583
NIMS Researchers Directory SAMURAI
Makoto Watanabe
キーワード
Laser powder bed fusion
,
Hastelloy X
,
Creep
,
Precipitation
,
Grain boundary
刊行年月日
2026-04-22
更新時刻
2026-04-30 12:01:11 +0900
キーワード
Phonon
(10164)
XAFS
(1858)
collection - MDR XAFS DB
(1857)
SPring-8
(1794)
BL14B2
(1756)
Si(111)
(1108)
P2_1/c (14)
(1071)
Pnma (62)
(837)
Si(311)
(731)
C2/c (15)
(597)
C2/m (12)
(368)
Fm-3m (225)
(332)
Oxide
(315)
R-3m (166)
(314)
Cmcm (63)
(301)
Chloride
(210)
P2_1/m (11)
(206)
Oxide_ate
(199)
R-3 (148)
(196)
P-3m1 (164)
(192)
P6_3/mmc (194)
(175)
P3m1 (156)
(171)
Alloy
(160)
Lattice thermal conductivity
(158)
R-3c (167)
(152)
P4/nmm (129)
(151)
I4/mmm (139)
(146)
Fd-3m (227)
(142)
Pbca (61)
(128)
Pna2_1 (33)
(128)
Pbcn (60)
(123)
P2_12_12_1 (19)
(120)
I-42d (122)
(115)
P6_3mc (186)
(115)
CdI2
(114)
Cmc2_1 (36)
(108)
I4_1/amd (141)
(107)
P2_1 (4)
(100)
I4/mcm (140)
(98)
Ni K-edge
(93)
Pure metal
(92)
W L21-edge
(92)
Cmce (64)
(91)
P6_3/m (176)
(89)
P6_3 (173)
(87)
Sulfide
(86)
Bromide
(85)
Pm-3m (221)
(85)
R3m (160)
(85)
P2/c (13)
(83)
Cc (9)
(82)
Transition metal alloy
(79)
Fluoride
(74)
F-43m (216)
(73)
Metalloid alloy
(73)
P4_2/mnm (136)
(73)
Aichi SR
(72)
Nitrate
(71)
ZnS
(71)
I-4 (82)
(70)
P2_13 (198)
(70)
Pa-3 (205)
(70)
Sulfate
(67)
Fe K-edge
(66)
Co K-edge
(65)
SiO2
(65)
BL5S1
(64)
Cm (8)
(64)
Cu K-edge
(64)
Tungstate
(64)
Zn K-edge
(63)
functionally graded materials
(63)
Fddd (70)
(62)
Ibam (72)
(61)
P4/mmm (123)
(61)
Pnnm (58)
(61)
Ba L21-edge
(60)
Pb L21-edge
(60)
Ag K-edge
(59)
C2 (5)
(59)
Pbcm (57)
(58)
thermoelectric
(58)
Imma (74)
(55)
Pmn2_1 (31)
(55)
I4_1/a (88)
(54)
P-43n (218)
(51)
Pc (7)
(51)
W L3-edge
(51)
Zr K-edge
(51)
I-43m (217)
(50)
Mo K-edge
(50)
Boride
(47)
Iodide
(47)
Pbam (55)
(47)
R3 (146)
(47)
Ia-3d (230)
(45)
HAXPES
(44)
Nitride
(44)
P4/mbm (127)
(44)
Ta L21-edge
(44)
Hydroxide
(43)
Immm (71)
(43)
Nb K-edge
(43)
In K-edge
(42)
P321 (150)
(42)
Sn K-edge
(42)
graphene
(42)
I4/m (87)
(41)
Pmmn (59)
(41)
Silicide
(41)
La L21-edge
(40)
P-42_1m (113)
(40)
R3c (161)
(39)
machine learning
(39)
BL46XU
(37)
P3_121 (152)
(37)
Pnna (52)
(37)
collection - MDR HAXPES DB
(37)
Ama2 (40)
(36)
C222_1 (20)
(36)
Ia-3 (206)
(36)
Carbonate
(35)
Cr K-edge
(35)
I4_1/acd (142)
(35)
Mn K-edge
(35)
P-62m (189)
(35)
Oxalate
(34)
P6_3cm (185)
(34)
Titanate
(34)
2D materials
(33)
Molybdate
(32)
Organometal
(32)
Pb L3-edge
(32)
Ti K-edge
(32)
Fdd2 (43)
(31)
Machine learning
(31)
P-3 (147)
(31)
P-31c (163)
(31)
Sb K-edge
(31)
Ba K-edge
(30)
Ba L3-edge
(30)
Carbide
(30)
Pca2_1 (29)
(30)
Acetate
(29)
Er L21-edge
(28)
Ir L21-edge
(28)
P-3c1 (165)
(28)
P4_12_12 (92)
(28)
Hydride
(27)
Ce L21-edge
(26)
Diamond
(26)
Ru K-edge
(26)
I-42m (121)
(25)
Cs L21-edge
(24)
P4_2/nmc (137)
(24)
Pd K-edge
(24)
R32 (155)
(24)
SAGA-LS
(24)
Ta L3-edge
(24)
P-31m (162)
(23)
SiC
(23)
Spintronics
(23)
W K-edge
(23)
hexagonal boron nitride
(23)
P-6c2 (188)
(22)
Pmc2_1 (26)
(22)
WSe2
(22)
MoS2
(21)
Phosphate
(21)
transmission electron microscopy
(21)
Ga2O3
(20)
La K-edge
(20)
La L3-edge
(20)
Yb L21-edge
(20)
Zirconate
(20)
GaN
(19)
P-43m (215)
(19)
Pt L3-edge
(19)
V K-edge
(19)
Cmmm (65)
(18)
Eu L21-edge
(18)
Acetylacetonate
(17)
Au L3-edge
(17)
Hydrogen
(17)
Phosphorate
(17)
Rh K-edge
(17)
X-ray diffraction
(17)
nanomechanical sensors
(17)
spintronics
(17)
Amm2 (38)
(16)
Au L1-edge
(16)
Au L2-edge
(16)
Im-3m (229)
(16)
Ir L3-edge
(16)
Pn-3 (201)
(16)
Pt L1-edge
(16)
Pt L2-edge
(16)
Tb L21-edge
(16)
Aea2 (41)
(15)
Microstructure
(15)
RDEメタデータ定義
RDE送り状
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