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)
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;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
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)
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;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
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
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)
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;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
Accelerating Materials Discovery of Novel Europium(II)-Activated Phosphors through Machine Learning Classification of Europium Valences
- ジャーナル論文
- 著者
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Yukinori Koyama (author) (この著者で検索)
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Yukako Kohriki (author) (この著者で検索)
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Masamichi Harada (author) (この著者で検索)
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Naoto Hirosaki (author) (この著者で検索)
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Takashi Takeda (author) (この著者で検索)
- キーワード
- phosphor, machine learning, europium, oxidation state
- 刊行年月日
- 2024-12-10
- 更新時刻
- 2025-11-25 08:30:03 +0900
Dielectric tensor of perovskite oxides at finite temperature using equivariant graph neural network potentials
- ジャーナル論文
- 著者
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;Alex Kutana (author) (この著者で検索)Nagoya University;Koki Yoshimochi (author) (この著者で検索)Ryoji Asahi (author) (この著者で検索)
- キーワード
- Graph neural network, machine learning, dielectrics, perovskite oxides, phase transitions
- 刊行年月日
- 2025-12-31
- 更新時刻
- 2025-07-18 10:24:15 +0900
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
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;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
A design methodology of crystal growth furnace and process aided by two-step optimization using machine learning models and genetic algorithm
- ジャーナル論文
- 著者
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;Hiroyuki Tanaka (author) (この著者で検索)Nagoya University a Graduate School of Engineering;Kentaro Kutsukake (author) (この著者で検索);Kota Asakura (author) (この著者で検索);Takuto Kojima (author) (この著者で検索);Xin Liu (author) (この著者で検索)Noritaka Usami (author) (この著者で検索)
- キーワード
- Optimization, machine learning, genetic algorithm, crystal growth, process informatics
- 刊行年月日
- 2025-12-31
- 更新時刻
- 2026-02-27 12:30:07 +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)
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;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
Artificial Intelligence‐Driven Nanoarchitectonics for Smart Targeted Drug Delivery
- ジャーナル論文
- 著者
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;Hayeon Bae (author) (この著者で検索);Hyunsub Ji (author) (この著者で検索);Konstantin Konstantinov (author) (この著者で検索);Ronald Sluyter (author) (この著者で検索)Katsuhiko Ariga (author) (この著者で検索)National Institute for Materials Science
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;Yong Ho Kim (author) (この著者で検索)Jung Ho Kim (author) (この著者で検索)
- キーワード
- artificial intelligence, in silico optimization, machine learning, nanocarrier design, nanomedicine, targeted drug delivery
- 刊行年月日
- 2025-08-07
- 更新時刻
- 2025-10-28 12:30:13 +0900