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manuscript_LZON_rev1_clean.pdf
First‐Principles Study on the Interfacial Cathode‐Contact Stability and Li Diffusivity of N‐Doped Li 6 Zr 2 O 7 for All‐Solid‐State Li‐Ion Batteries
ジャーナル論文
著者
ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI ;
Tetsuya Yamada (author) (この著者で検索)
;
Katsuya Teshima (author) (この著者で検索)
キーワード
all solid state batteries, lithium ion conductors, solid electrolytes, cathode coatings, first-principles calculations, molecular dynamics simulations, machine learning interatomic potentials, solid hetero-interface modeling
刊行年月日
2025-10-01
更新時刻
2025-12-19 08:30:58 +0900
Catalyst poisoning influences from various functional groups of energy carriers towards electrochemical oxidation reactions on non-noble high-entropy .pdf
Catalyst poisoning influences from various functional groups of energy carriers towards electrochemical oxidation reactions on non-noble high entropy alloy anodes in acidic media
ジャーナル論文
著者
Rafat Tahawy (author) (この著者で検索)
University of Tsukuba a Department of Applied Physics, Institute of Pure and Applied Sciences
;
Salma Aridha Muflihah (author) (この著者で検索)
;
Kosuke Hara (author) (この著者で検索)
;
Tatsuhiko Ohto (author) (この著者で検索)
;
Hisanori Tanimoto (author) (この著者で検索)
;
Tianshu Li (author) (この著者で検索)
;
Mahmoud Abdelnabi (author) (この著者で検索)
;
Samuel Jeong (author) (この著者で検索)
;
Tomohiko Nishiuchi (author) (この著者で検索)
;
Hajime Kimizuka (author) (この著者で検索)
;
Akfiny Hasdi Aimon (author) (この著者で検索)
;
Yoshikazu Ito (author) (この著者で検索)
キーワード
Non-noble metal, high entropy alloy, oxygen evolution reaction, oxidation reaction, anode, catalyst poisoning
刊行年月日
2026-04-24
更新時刻
2026-04-27 13:14:06 +0900
chemrxiv-2025-0qr26.pdf
Construction of an Interpretable Regression Model for Yield Prediction and Mechanistic Insight Enabled by Automated Reaction Path Exploration
ジャーナル論文
著者
Takahiro Doba (author) (この著者で検索)
;
Yu Harabuchi (author) (この著者で検索)
;
Yuuya Nagata (author) (この著者で検索)
National Institute for Materials Science
ORCID ;
Satoshi Maeda (author) (この著者で検索)
キーワード
Automated Reaction Path Exploration, Interpretable Machine Learning, Reaction Yield Prediction, Reaction Mechanism Elucidation, Quantum Chemical Calculations
刊行年月日
2026-07-01
更新時刻
2026-11-02 15:10:20 +0900
upae090 (1).pdf
CSIML: a cost-sensitive and iterative machine-learning method for small and imbalanced materials data sets
ジャーナル論文
著者
ORCID SAMURAI ; ORCID SAMURAI
キーワード
cost-sensitive, iterative machine-learning method, small and imbalanced materials data sets, chemical knowledge, CSIML
刊行年月日
2024-05-02
更新時刻
2024-11-28 16:30:28 +0900
guo_matdes2025.pdf
Spring-based mechanical metamaterials with deep-learning-accelerated design
ジャーナル論文
著者
Xiaofeng Guo (author) (この著者で検索)
ORCID ; ORCID ; ORCID SAMURAI ;
Takayuki Yamada (author) (この著者で検索)
ORCID ;
Yong Yi (author) (この著者で検索)
ORCID ; ORCID SAMURAI
キーワード
Mechanical metamaterial
刊行年月日
2025-03-06
更新時刻
2025-04-23 08:30:21 +0900
Theoretical and data-driven approaches to semiconductors and dielectrics from prediction to experiment.pdf
Theoretical and data-driven approaches to semiconductors and dielectrics: from prediction to experiment
ジャーナル論文
著者
Fumiyasu Oba (author) (この著者で検索)
ORCID ;
Takayuki Nagai (author) (この著者で検索)
ORCID ;
Ryoji Katsube (author) (この著者で検索)
ORCID ;
Yasuhide Mochizuki (author) (この著者で検索)
ORCID ;
Masatake Tsuji (author) (この著者で検索)
ORCID ;
Guillaume Deffrennes (author) (この著者で検索)
ORCID ;
Kota Hanzawa (author) (この著者で検索)
ORCID ;
Akitoshi Nakano (author) (この著者で検索)
ORCID ;
Akira Takahashi (author) (この著者で検索)
ORCID ;
Kei Terayama (author) (この著者で検索)
ORCID ;
Ryo Tamura (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Hidenori Hiramatsu (author) (この著者で検索)
ORCID ;
Yoshitaro Nose (author) (この著者で検索)
ORCID ;
Hiroki Taniguchi (author) (この著者で検索)
ORCID
キーワード
semiconductors, dielectrics
刊行年月日
2024-12-31
更新時刻
2024-12-25 16:31:05 +0900
A data-driven elucidation of the challenges in designing stable quinone derivatives for aqueous organic redox flow batteries correlations between the.pdf
A data-driven elucidation of the challenges in designing stable quinone derivatives for aqueous organic redox flow batteries: correlations between thermodynamics of chemical degradation and energy capacity metrics
ジャーナル論文
著者
Ning Lu (author) (この著者で検索)
RWTH Aachen University a MODES, the Integrated Fuel & Chemical Science Centre
;
Shiyao Ju (author) (この著者で検索)
;
Daniel Willimetz (author) (この著者で検索)
;
Shengming Tang (author) (この著者で検索)
;
Abhishek Khetan (author) (この著者で検索)
キーワード
Aqueous organic redox flow batteries, quinone stability, degradation, molecular design, high-throughput screening, durability, grid-scale energy storage
刊行年月日
2026-07-16
更新時刻
2026-07-17 13:28:23 +0900
Time-domain thermoreflectance technique using multiple delayed probe pulses for high-throughput data acquisition and analysis.pdf
Time-domain thermoreflectance technique using multiple delayed probe pulses for high-throughput data acquisition and analysis
ジャーナル論文
著者
Hiroto Arima (author) (この著者で検索)
National Institute of Advanced Industrial Science and Technology (AIST) National Metrology Institute of Japan (NMIJ)
;
Yuichiro Yamashita (author) (この著者で検索)
;
Takashi Yagi (author) (この著者で検索)
キーワード
Time-domain thermoreflectance, multiple delay, thin film, thermal effusivity, interfacial thermal resistance, machine learning
刊行年月日
2025-12-31
更新時刻
2025-07-16 16:14:58 +0900
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