4119 件のレコードが見つかりました。

1-s2.0-S0022309323005793-main.pdf
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)
;
Atsuki Saito (author) (この著者で検索)
;
Takashi Murata (author) (この著者で検索)
;
Ayako Nakata (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Tsuyoshi Miyazaki (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI
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
Manuscript_revised_with_figures_20240326_投稿.pdf
First-principles investigation on potential profile induced in graphene by surface and edge metal contacts
ジャーナル論文
著者
Takahisa Ohno (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Nobuo Tajima (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Jun Nara (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI
キーワード
Graphene
刊行年月日
2024-05-01
更新時刻
2025-05-17 08:30:23 +0900
Cr2Ge2Te6_Manuscript_submit230607.pdf
Two-step electronic response to magnetic ordering in a van der Waals ferromagnet
ジャーナル論文
著者
Han Wu (author) (この著者で検索)
Rice University
;
Jian-Xin Zhu (author) (この著者で検索)
Los Alamos National Laboratory
;
Lebing Chen (author) (この著者で検索)
University of California at Berkeley
;
Matthew W. Butcher (author) (この著者で検索)
Rice University
;
Ziqin Yue (author) (この著者で検索)
Rice University
;
Dongsheng Yuan (author) (この著者で検索)
National Institute for Materials Science Research Center for Electronic and Optical Materials/Optical Materials Field/Optical Single Crystals Group
ORCID SAMURAI ;
Yu He (author) (この著者で検索)
Yale University
;
Ji Seop Oh (author) (この著者で検索)
Rice University
;
Bin Gao (author) (この著者で検索)
Rice University
;
Jianwei Huang (author) (この著者で検索)
Rice University
;
Shan Wu (author) (この著者で検索)
University of California at Berkeley
;
Cheng Gong (author) (この著者で検索)
University of Maryland, College Park
;
Yucheng Guo (author) (この著者で検索)
Rice University
;
Sung-Kwan Mo (author) (この著者で検索)
Lawrence Berkeley National Laboratory
;
Jonathan Denlinger (author) (この著者で検索)
Lawrence Berkeley National Laboratory
;
Donghui Lu (author) (この著者で検索)
SLAC National Accelerator Laboratory
;
Makoto Hashimoto (author) (この著者で検索)
SLAC National Accelerator Laboratory
;
Matthew B. Stone (author) (この著者で検索)
Oak Ridge National Laboratory (ORNL)
;
Alexander I. Kolesnikov (author) (この著者で検索)
Oak Ridge National Laboratory (ORNL)
;
Songxue Chi (author) (この著者で検索)
Oak Ridge National Laboratory (ORNL)
;
Junichiro Kono (author) (この著者で検索)
Rice University
;
Andriy H. Nevidomskyy (author) (この著者で検索)
Rice University
;
Robert J. Birgeneau (author) (この著者で検索)
University of California at Berkeley
;
Pengcheng Dai (author) (この著者で検索)
Rice University
;
Ming Yi (author) (この著者で検索)
Rice University
キーワード
Magnetic order, Electronic structure, Magnetic phase transitions, Van der Waals systems, Angle-resolved photoemission spectroscopy
刊行年月日
2024-01-12
更新時刻
2024-11-19 16:30:44 +0900
Manuscript_TAN_GY.docx
Observation of odd–even effect in 1-alcohols through pentapeptide-coated quartz crystal microbalance sensors with molecular docking study
ジャーナル論文
著者
Thuc Anh Ngo (author) (この著者で検索)
;
Kosuke Minami (author) (この著者で検索)
National Institute for Materials Science Research Center for Macromolecules and Biomaterials/Biomaterials Field/Olfactory Sensors Group
ORCID SAMURAI ;
Tanju Yildirim (author) (この著者で検索)
National Institute for Materials Science Research Center for Macromolecules and Biomaterials/Biomaterials Field/Olfactory Sensors Group
ORCID ;
Kota Shiba (author) (この著者で検索)
National Institute for Materials Science Research Center for Macromolecules and Biomaterials/Biomaterials Field/Olfactory Sensors Group
ORCID SAMURAI ;
Genki Yoshikawa (author) (この著者で検索)
National Institute for Materials Science Research Center for Macromolecules and Biomaterials/Biomaterials Field/Olfactory Sensors Group
ORCID SAMURAI
キーワード
odd-even effects, gas sensor, volatile organic compounds
刊行年月日
2025-04-21
更新時刻
2025-11-13 16:30:16 +0900
Fukushima2022_HEA_PhysRevMaterials.6.023802.pdf
Automatic exhaustive calculations of large material space by Korringa-Kohn-Rostoker coherent potential approximation method — Applied to equiatomic quaternary high entropy alloys
ジャーナル論文
著者
T. Fukushima (author) (この著者で検索)
;
H. Akai (author) (この著者で検索)
; ORCID SAMURAI ;
H. Kino (author) (この著者で検索)
National Institute for Materials Science
ORCID
キーワード
AkaiKKR, Curie temperature, magnetization, quaternary high entropy alloys, law aquisition, residual resistivity, Automatic exhaustive exploration
刊行年月日
2022-02-17
更新時刻
2024-01-05 22:13:35 +0900
2025_Sakuma_et_al_JMPS.pdf
Synthesis of needle-like aragonite using carbonation method: A review
ジャーナル論文
著者
ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI ;
Je-Deok KIM (author) (この著者で検索)
; ORCID SAMURAI
キーワード
Calcium carbonate, Aragonite, Carbon dioxide, Reinforcement
刊行年月日
2025-02-03
更新時刻
2025-02-27 08:30:21 +0900
ジャーナル論文
Dual quantum spin Hall insulator by density-tuned correlations in TaIrTe4
ジャーナル論文
著者
Jian Tang (author) (この著者で検索)
;
Thomas Siyuan Ding (author) (この著者で検索)
;
Hongyu Chen (author) (この著者で検索)
;
Anyuan Gao (author) (この著者で検索)
;
Tiema Qian (author) (この著者で検索)
;
Zumeng Huang (author) (この著者で検索)
;
Zhe Sun (author) (この著者で検索)
;
Xin Han (author) (この著者で検索)
;
Alex Strasser (author) (この著者で検索)
;
Jiangxu Li (author) (この著者で検索)
;
Michael Geiwitz (author) (この著者で検索)
;
Mohamed Shehabeldin (author) (この著者で検索)
;
Vsevolod Belosevich (author) (この著者で検索)
;
Zihan Wang (author) (この著者で検索)
;
Yiping Wang (author) (この著者で検索)
;
Kenji Watanabe (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Takashi Taniguchi (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
David C. Bell (author) (この著者で検索)
;
Ziqiang Wang (author) (この著者で検索)
;
Liang Fu (author) (この著者で検索)
;
Yang Zhang (author) (この著者で検索)
;
Xiaofeng Qian (author) (この著者で検索)
;
Kenneth S. Burch (author) (この著者で検索)
;
Youguo Shi (author) (この著者で検索)
;
Ni Ni (author) (この著者で検索)
;
Guoqing Chang (author) (この著者で検索)
;
Su-Yang Xu (author) (この著者で検索)
;
Qiong Ma (author) (この著者で検索)
キーワード
Quantum Spin Hall (QSH) Insulator, Electron Correlations, Charge Density Wave (CDW)
刊行年月日
2024-04-18
更新時刻
2025-09-05 16:30:37 +0900
1-s2.0-S2949747725000065-main (3).pdf
Generating eco-friendly ionic liquids with enhanced CO2 solubility using language models
ジャーナル論文
著者
Adroit T.N. Fajar (author) (この著者で検索)
;
Guillaume Lambard (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Md. Amirul Islam (author) (この著者で検索)
;
Bidyut B. Saha (author) (この著者で検索)
;
Zakiah D. Nurfajrin (author) (この著者で検索)
;
Kevin Septioga (author) (この著者で検索)
キーワード
Generative model, GPT, Prediction, SMILES, Decarbonization
刊行年月日
2025-05-22
更新時刻
2025-12-10 08:30:26 +0900
DigitalCPDDB-README.pdf
Digital-CPDDB
データセット
コレクション
CPDDB
著者
ORCID SAMURAI ; ORCID ;
GOTO, Yumi (author) (この著者で検索)
;
SAWADA, Yukiko (author) (この著者で検索)
;
HIROSE, Kiyomi (author) (この著者で検索)
キーワード
Computational thermodynamics, Phase diagram, CALPHAD
刊行年月日
2021-08-05
更新時刻
2022-10-03 01:27:00 +0900
clear copy-Evaluation of dielectric function models for calculation of electron inelastic mean free path.docx
Evaluation of dielectric function models for calculation of electron inelastic mean free path
ジャーナル論文
著者
B. Da (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
X. Liu (author) (この著者で検索)
National Institute for Materials Science
;
L. H. Yang (author) (この著者で検索)
;
J. M. Gong (author) (この著者で検索)
;
Z. J. Ding (author) (この著者で検索)
;
H. Shinotsuka (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
J. W. Liu (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
H. Yoshikawa (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
S. Tanuma (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI
キーワード
electron inelastic mean free path, Mermin model, plasmon lifetime
刊行年月日
2022-05-07
更新時刻
2024-01-05 22:12:40 +0900