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ジャーナル論文(10)
キーワード
DFT (3)
First-principles calculations (2)
Large-scale DFT (2)
1D spin liquid (1)
3D-RISM (1)
Anion exchange membrane water electrolyzer (1)
Classical force fields (1)
Density Functional Theory (1)
Density Functional Theory (DFT) (1)
Density functional theory (1)
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10 件のレコードが見つかりました。
Nonrelativistic Piezomagnetic Effect in an Organic Altermagnet
ジャーナル論文
著者
Makoto Naka
(author) (
この著者で検索
)
Makoto Naka
;
Yukitoshi Motome
(author) (
この著者で検索
)
Yukitoshi Motome
;
Tsuyoshi Miyazaki
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3534-4404
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Tsuyoshi Miyazaki
;
Hitoshi Seo
(author) (
この著者で検索
)
Hitoshi Seo
キーワード
Organic Altermagnet
,
Non-relativistic Piezomagnetic Effect
刊行年月日
2025-08-15
更新時刻
2025-11-11 08:30:06 +0900
Quasi-One-Dimensional Spin Dynamics in a Molecular Spin Liquid System
ジャーナル論文
著者
Yugo Oshima
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9822-8262
(unauthenticated)
Yugo Oshima
;
Yasuyuki Ishii
(author) (
この著者で検索
)
https://orcid.org/0000-0001-6520-3894
(unauthenticated)
Yasuyuki Ishii
;
Francis L. Pratt
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5919-3885
(unauthenticated)
Francis L. Pratt
;
Isao Watanabe
(author) (
この著者で検索
)
https://orcid.org/0000-0003-4722-8654
(unauthenticated)
Isao Watanabe
;
Hitoshi Seo
(author) (
この著者で検索
)
https://orcid.org/0000-0003-4907-7255
(unauthenticated)
Hitoshi Seo
;
Takao Tsumuraya
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9063-9278
(unauthenticated)
Takao Tsumuraya
;
Tsuyoshi Miyazaki
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3534-4404
NIMS Researchers Directory SAMURAI
Tsuyoshi Miyazaki
;
Reizo Kato
(author) (
この著者で検索
)
https://orcid.org/0000-0002-2606-4657
(unauthenticated)
Reizo Kato
キーワード
Molecular Triangular Lattice System
,
1D spin liquid
,
electron spin resonance
,
muon-spin relaxation measurements
,
DFT
,
extended Hubbard model
刊行年月日
2024-12-03
更新時刻
2024-12-06 17:17:56 +0900
Stability of Correlated Insulating States in Molecular Conductors from First-Principles Calculation
ジャーナル論文
著者
Takao Tsumuraya
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9063-9278
(unauthenticated)
Takao Tsumuraya
;
Tsuyoshi Miyazaki
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3534-4404
NIMS Researchers Directory SAMURAI
Tsuyoshi Miyazaki
;
Hitoshi Seo
(author) (
この著者で検索
)
Hitoshi Seo
キーワード
First-principles calculations
,
Density Functional Theory
,
Molecular Conductors
,
Strongly Correlated Systems
刊行年月日
2024-12-15
更新時刻
2024-11-21 16:30:38 +0900
Assessing Ni
2
(dobpdc) Anchoring for Mitigating Lithium Polysulfide Dissolution in Lithium–Sulfur Batteries
ジャーナル論文
著者
Kuan-Yu Lin
(author) (
この著者で検索
)
https://orcid.org/0000-0002-2426-5543
(unauthenticated)
Kuan-Yu Lin
;
Mei-Ru Lai
(author) (
この著者で検索
)
Mei-Ru Lai
;
Minoru Otani
(author) (
この著者で検索
)
Minoru Otani
;
Tsuyoshi Miyazaki
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3534-4404
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Tsuyoshi Miyazaki
;
Jyh-Chiang Jiang
(author) (
この著者で検索
)
Jyh-Chiang Jiang
キーワード
Li-S battery
,
DFT
,
3D-RISM
,
MOF
刊行年月日
2024-10-03
更新時刻
2024-11-21 16:30:34 +0900
Theoretical search for characteristic atoms in supported gold nanoparticles: a large-scale DFT study
ジャーナル論文
著者
Shengzhou Li
(author) (
この著者で検索
)
https://orcid.org/0000-0001-6973-3825
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Shengzhou Li
;
Tsuyoshi Miyazaki
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3534-4404
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Tsuyoshi Miyazaki
;
Ayako Nakata
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3311-6283
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Ayako Nakata
キーワード
Large-scale DFT
,
gold nanoparticle
,
supported nanoparticle
,
statistic analysis
,
density of states
,
principal component analysis
,
first-principles calculation
刊行年月日
2024-06-21
更新時刻
2024-08-31 08:30:29 +0900
Unveiling dendrite-suppressing potential of alkali metal-based alloys in lithium metal batteries
ジャーナル論文
著者
Kuan-Yu Lin
(author) (
この著者で検索
)
Kuan-Yu Lin
;
Rui-Tong Kuo
(author) (
この著者で検索
)
Rui-Tong Kuo
;
Tsuyoshi Miyazaki
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3534-4404
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Tsuyoshi Miyazaki
;
Bing Joe Hwang
(author) (
この著者で検索
)
Bing Joe Hwang
;
Jyh-Chiang Jiang
(author) (
この著者で検索
)
Jyh-Chiang Jiang
キーワード
Li metal battery
,
DFT
,
solid electrolyte interface
,
MD
刊行年月日
2024-04-13
更新時刻
2024-08-20 10:48:14 +0900
Extraction of local structure differences in silica based on unsupervised learning
ジャーナル論文
著者
Anh Khoa Augustin Lu
(author) (
この著者で検索
)
https://orcid.org/0000-0003-4702-0933
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Anh Khoa Augustin Lu
;
Jianbo Lin
(author) (
この著者で検索
)
https://orcid.org/0000-0003-0769-9857
National Institute for Materials Science
Jianbo Lin
;
Yasunori Futamura
(author) (
この著者で検索
)
Yasunori Futamura
;
Tetsuya Sakurai
(author) (
この著者で検索
)
Tetsuya Sakurai
;
Ryo Tamura
(author) (
この著者で検索
)
https://orcid.org/0000-0002-0349-358X
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Ryo Tamura
;
Tsuyoshi Miyazaki
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3534-4404
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Tsuyoshi Miyazaki
キーワード
silica
,
unsupervised learning
,
Machine Learning
,
Molecular Dynamics(MD)
,
Density Functional Theory (DFT)
,
local structure analysis
刊行年月日
2024-03-28
更新時刻
2024-08-20 08:30:29 +0900
Bioinspired Carbonized Polymer Microspheres for Full-Color Whispering Gallery Mode Emission for White Light Emission, Unclonable Anticounterfeiting, and Chemical Sensing Applications
ジャーナル論文
著者
Barun Kumar Barman
(author) (
この著者で検索
)
https://orcid.org/0000-0002-9894-1890
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Barun Kumar Barman
;
David Hernández-Pinilla
(author) (
この著者で検索
)
David Hernández-Pinilla
;
Thang Duy Dao
(author) (
この著者で検索
)
Thang Duy Dao
;
Kenzo Deguchi
(author) (
この著者で検索
)
National Institute for Materials Science
Kenzo Deguchi
;
Shinobu Ohki
(author) (
この著者で検索
)
https://orcid.org/0000-0002-7357-3833
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Shinobu Ohki
;
Kenjiro Hashi
(author) (
この著者で検索
)
https://orcid.org/0000-0002-0320-4768
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Kenjiro Hashi
;
Atsushi Goto
(author) (
この著者で検索
)
https://orcid.org/0000-0002-9472-4098
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Goto
;
Tsuyoshi Miyazaki
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3534-4404
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Tsuyoshi Miyazaki
;
Karuna Kar Nanda
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9496-1408
(unauthenticated)
Karuna Kar Nanda
;
Tadaaki Nagao
(author) (
この著者で検索
)
https://orcid.org/0000-0002-6746-2686
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Tadaaki Nagao
キーワード
carbon dots
,
carbonized polymer microsphere
,
energy transfer
,
white-light emission
,
anti-counterfeiting
刊行年月日
2024-05-01
更新時刻
2025-05-01 08:30:21 +0900
Large-scale DFT calculations of multi-component glass systems (SiO2)0.70(Al2O3)0.13(XO)0.17 (X = Mg, Ca, Sr, Ba) : Accuracy of classical force fields
ジャーナル論文
著者
Atsushi Tanaka
(author) (
この著者で検索
)
Atsushi Tanaka
;
Atsuki Saito
(author) (
この著者で検索
)
Atsuki Saito
;
Takashi Murata
(author) (
この著者で検索
)
Takashi Murata
;
Ayako Nakata
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3311-6283
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Ayako Nakata
;
Tsuyoshi Miyazaki
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3534-4404
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Tsuyoshi Miyazaki
キーワード
Multi-component glass
,
First-principles calculations
,
Large-scale DFT
,
Classical force fields
,
Molecular dynamics simulations
刊行年月日
2023-11-25
更新時刻
2024-03-05 16:30:21 +0900
An efficient cathode electrocatalyst for anion exchange membrane water electrolyzer
ジャーナル論文
著者
Shanmugam Ramakrishnan
(author) (
この著者で検索
)
Shanmugam Ramakrishnan
;
Subramanian Vijayapradeep
(author) (
この著者で検索
)
Subramanian Vijayapradeep
;
Selva Chandrasekaran Selvaraj
(author) (
この著者で検索
)
https://orcid.org/0000-0002-9023-4075
(unauthenticated)
National Institute for Materials Science
Selva Chandrasekaran Selvaraj
;
Jian Huang
(author) (
この著者で検索
)
Jian Huang
;
S.C. Karthikeyan
(author) (
この著者で検索
)
S.C. Karthikeyan
;
Rambabu Gutru
(author) (
この著者で検索
)
Rambabu Gutru
;
Natarajan Logeshwaran
(author) (
この著者で検索
)
Natarajan Logeshwaran
;
Tsuyoshi Miyazaki
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3534-4404
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Tsuyoshi Miyazaki
;
Mohamed Mamlouk
(author) (
この著者で検索
)
Mohamed Mamlouk
;
Dong Jin Yoo
(author) (
この著者で検索
)
Dong Jin Yoo
キーワード
Hierarchical MoS2
,
Pt–C core-shell
,
Density functional theory
,
In-situ Raman analysis
,
Anion exchange membrane water electrolyzer
刊行年月日
2024-01-15
更新時刻
2024-03-04 16:30:11 +0900
キーワード
DFT
(3)
First-principles calculations
(2)
Large-scale DFT
(2)
1D spin liquid
(1)
3D-RISM
(1)
Anion exchange membrane water electrolyzer
(1)
Classical force fields
(1)
Density Functional Theory
(1)
Density Functional Theory (DFT)
(1)
Density functional theory
(1)
Hierarchical MoS2
(1)
In-situ Raman analysis
(1)
Li metal battery
(1)
Li-S battery
(1)
MD
(1)
MOF
(1)
Machine Learning
(1)
Molecular Conductors
(1)
Molecular Dynamics(MD)
(1)
Molecular Triangular Lattice System
(1)
Molecular dynamics simulations
(1)
Multi-component glass
(1)
Non-relativistic Piezomagnetic Effect
(1)
Organic Altermagnet
(1)
Pt–C core-shell
(1)
Strongly Correlated Systems
(1)
anti-counterfeiting
(1)
carbon dots
(1)
carbonized polymer microsphere
(1)
density of states
(1)
electron spin resonance
(1)
energy transfer
(1)
extended Hubbard model
(1)
first-principles calculation
(1)
gold nanoparticle
(1)
local structure analysis
(1)
muon-spin relaxation measurements
(1)
principal component analysis
(1)
silica
(1)
solid electrolyte interface
(1)
statistic analysis
(1)
supported nanoparticle
(1)
unsupervised learning
(1)
white-light emission
(1)
RDEメタデータ定義
RDE送り状
<
1
>