- Creative Commons BY Attribution 4.0 International (26)
- In Copyright (15)
- Creative Commons BY-NC Attribution-NonCommercial 4.0 International (4)
- Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International (1)
- https://creativecommons.org/licenses/by-nc/3.0/ (1)
- https://creativecommons.org/licenses/by-nc/3.0/legalcode (1)
Pitfalls in Artificial Intelligence Powered Discovery Due to Electrocatalyst Evaluation Methodologies
- ジャーナル論文
- 著者
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;Abraham Castro Garcia (author) (この著者で検索)Ken Sakaushi (author) (この著者で検索)National Institute for Materials Science
- キーワード
- machine learning
- 刊行年月日
- 2025-09-04
- 更新時刻
- 2026-04-30 12:01:11 +0900
Multiobjective Solid Electrolyte Design of Tetragonal and Cubic Inverse-Perovskites for All-Solid-State Lithium-Ion Batteries by High-Throughput Density Functional Theory Calculations and AI-Driven Methods
- ジャーナル論文
- 著者
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JALEM Randy (author) (この著者で検索)National Institute for Materials Science Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Interface Electrochemistry Group
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TATEYAMA Yoshitaka (author) (この著者で検索)National Institute for Materials Science Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Interface Electrochemistry Group
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TAKADA Kazunori (author) (この著者で検索)National Institute for Materials Science Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Solid-State Battery Group
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JANG Seonghoon (author) (この著者で検索)National Institute for Materials Science Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Interface Electrochemistry Group
- キーワード
- all solid state batteries, solid electrolytes, density functional theory, materials informatics, machine learning, novel materials search
- 刊行年月日
- 2023-09-07
- 更新時刻
- 2024-08-28 08:30:15 +0900
2023 Roadmap on molecular modelling of electrochemical energy materials
- ジャーナル論文
- 著者
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;Chao Zhang (author) (この著者で検索);Jun Cheng (author) (この著者で検索);Yiming Chen (author) (この著者で検索);Maria K Y Chan (author) (この著者で検索);Qiong Cai (author) (この著者で検索);Rodrigo P Carvalho (author) (この著者で検索);Cleber F N Marchiori (author) (この著者で検索);Daniel Brandell (author) (この著者で検索);C Moyses Araujo (author) (この著者で検索);Ming Chen (author) (この著者で検索);Xiangyu Ji (author) (この著者で検索);Guang Feng (author) (この著者で検索);Kateryna Goloviznina (author) (この著者で検索);Alessandra Serva (author) (この著者で検索);Mathieu Salanne (author) (この著者で検索)Toshihiko Mandai (author) (この著者で検索)National Institute for Materials Science (NIMS)
;
;Tomooki Hosaka (author) (この著者で検索);Mirna Alhanash (author) (この著者で検索);Patrik Johansson (author) (この著者で検索);Yun-Ze Qiu (author) (この著者で検索);Hai Xiao (author) (この著者で検索);Michael Eikerling (author) (この著者で検索);Ryosuke Jinnouchi (author) (この著者で検索);Marko M Melander (author) (この著者で検索);Georg Kastlunger (author) (この著者で検索);Assil Bouzid (author) (この著者で検索);Alfredo Pasquarello (author) (この著者で検索);Seung-Jae Shin (author) (この著者で検索);Minho M Kim (author) (この著者で検索);Hyungjun Kim (author) (この著者で検索);Kathleen Schwarz (author) (この著者で検索)Ravishankar Sundararaman (author) (この著者で検索)
- キーワード
- electrochemical interfaces, density-functional theory, molecular dynamics simulation, electrochemical energy storage, machine learning, electrocatalysis
- 刊行年月日
- 2023-10-01
- 更新時刻
- 2024-03-22 00:53:39 +0900
Data-driven study of the enthalpy of mixing in the liquid phase
- ジャーナル論文
- 著者
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Guillaume Deffrennes (author) (この著者で検索)
https://orcid.org/0000-0002-3752-2537
(unauthenticated)
;
;Bengt Hallstedt (author) (この著者で検索);Taichi Abe (author) (この著者で検索);Quentin Bizot (author) (この著者で検索);Evelyne Fischer (author) (この著者で検索);Jean-Marc Joubert (author) (この著者で検索);Kei Terayama (author) (この著者で検索)Ryo Tamura (author) (この著者で検索)
- キーワード
- enthalpy of mixing, machine learning, liquid phase
- 刊行年月日
- 2024-09-25
- 更新時刻
- 2024-10-05 08:30:08 +0900
Enhancing oxygen reduction reaction mass activity in polymer electrolyte fuel cells via molecular machine learning
- ジャーナル論文
- 著者
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Ekaterina Gracheva (author) (この著者で検索)
;
;Shin-ichi Yamazaki (author) (この著者で検索)Guillaume Lambard (author) (この著者で検索)
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Keitaro Sodeyama (author) (この著者で検索)
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;Tsutomu Ioroi (author) (この著者で検索)Masafumi Asahi (author) (この著者で検索)
https://orcid.org/0000-0002-2122-3073
(unauthenticated)
- キーワード
- materials science, machine learning, chemoinformatics, polymer electrolyte fuel cell (PEFC), oxygen reduction reaction, active learning
- 刊行年月日
- 2026-08-01
- 更新時刻
- 2026-08-26 16:18:22 +0900
Theoretical investigation of oxidation mechanism in Ti and its alloys
- プロシーディングス論文
- 著者
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Ryoji Sahara (author) (この著者で検索)National Institute for Materials Science Research Center for Structural Materials/Materials Evaluation Field/Computational Structural Materials Group
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;Somesh Kr. Bhattacharya (author) (この著者で検索)National Institute for Materials Science Research Center for Structural Materials/Design and Producing Field/Computational Structural Materials Group;Kanika Kohli (author) (この著者で検索)Indian Institute of Science Education and Research Pune;Prasenjit Ghosh (author) (この著者で検索)Indian Institute of Science Education and Research Pune;Kyosuke Ueda (author) (この著者で検索)Tohoku Univ.Takayuki Narushima (author) (この著者で検索)Tohoku Univ.
- キーワード
- high temperature oxidation, parabolic rate constant, first principles calculations, machine learning, electronegativity
- 刊行年月日
- 更新時刻
- 2024-10-18 16:30:37 +0900
Machine learning approach for the prediction of electron inelastic mean free paths
- ジャーナル論文
- 著者
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;Xun Liu (author) (この著者で検索)National Institute for Materials Science;Lihao Yang (author) (この著者で検索);Zhufeng Hou (author) (この著者で検索)Bo Da (author) (この著者で検索)National Institute for Materials Science
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Kenji Nagata (author) (この著者で検索)National Institute for Materials Science
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Hideki Yoshikawa (author) (この著者で検索)National Institute for Materials Science
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Shigeo Tanuma (author) (この著者で検索)National Institute for Materials Science
;
;Yang Sun (author) (この著者で検索)Zejun Ding (author) (この著者で検索)
- キーワード
- machine learning, inelastic mean free path
- 刊行年月日
- 2021-03-24
- 更新時刻
- 2024-01-05 22:13:49 +0900
Understanding strain localization in metallic materials: a review of high-resolution digital image correlation and related techniques
- ジャーナル論文
- 著者
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F. Briffod (author) (この著者で検索)
;
;T. E.J. Edwards (author) (この著者で検索);J. Quinta da Fonseca (author) (この著者で検索);J. -C. Stinville (author) (この著者で検索);D. Texier (author) (この著者で検索)T. Vermeij (author) (この著者で検索)
- キーワード
- High-resolution digital image correlation, strain localization, crystal plasticity, data merging, metallic materials, machine learning
- 刊行年月日
- 2026-12-31
- 更新時刻
- 2026-03-13 08:30:04 +0900
Deep Learning Enables Rapid Identification of a New Quasicrystal from Multiphase Powder Diffraction Patterns
- ジャーナル論文
- 著者
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;Hirotaka Uryu (author) (この著者で検索);Tsunetomo Yamada (author) (この著者で検索);Koichi Kitahara (author) (この著者で検索)Alok Singh (author) (この著者で検索)National Institute for Materials Science
;
Yutaka Iwasaki (author) (この著者で検索)National Institute for Materials Science
;
Kaoru Kimura (author) (この著者で検索)National Institute for Materials Science
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;Kanta Hiroki (author) (この著者で検索);Naoki Miyao (author) (この著者で検索);Asuka Ishikawa (author) (この著者で検索);Ryuji Tamura (author) (この著者で検索);Satoshi Ohhashi (author) (この著者で検索);Chang Liu (author) (この著者で検索)Ryo Yoshida (author) (この著者で検索)
- キーワード
- deep learning, x-ray powder diffraction, quasicrystal, phase identification, machine learning
- 刊行年月日
- 2023-11-14
- 更新時刻
- 2024-12-13 12:30:39 +0900
Machine-Learning-Driven Discovery of Mn4+-Doped Red-Emitting Fluorides with Short Excited-State Lifetime and High Efficiency for Mini Light-Emitting Diode Displays
- ジャーナル論文
- 著者
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Hong Ming (author) (この著者で検索)
https://orcid.org/0000-0003-0118-1897
(unauthenticated)
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;Yayun Zhou (author) (この著者で検索)Maxim S. Molokeev (author) (この著者で検索)
https://orcid.org/0000-0002-8297-0945
(unauthenticated)
;
;Chuang Zhang (author) (この著者で検索);Lin Huang (author) (この著者で検索);Yuanjing Wang (author) (この著者で検索)Hong-Tao Sun (author) (この著者で検索)
;
Enhai Song (author) (この著者で検索)
https://orcid.org/0000-0003-1666-0532
(unauthenticated)
;
Qinyuan Zhang (author) (この著者で検索)
https://orcid.org/0000-0001-6544-4735
(unauthenticated)
- キーワード
- luminescent materials, machine learning
- 刊行年月日
- 2024-05-06
- 更新時刻
- 2025-04-03 08:30:20 +0900