20 records found. Displaying records 1 to 10.
2023 Roadmap on molecular modelling of electrochemical energy materials
- Journal article
- Creator
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;Chao Zhang (author) (Search by this author);Jun Cheng (author) (Search by this author);Yiming Chen (author) (Search by this author);Maria K Y Chan (author) (Search by this author);Qiong Cai (author) (Search by this author);Rodrigo P Carvalho (author) (Search by this author);Cleber F N Marchiori (author) (Search by this author);Daniel Brandell (author) (Search by this author);C Moyses Araujo (author) (Search by this author);Ming Chen (author) (Search by this author);Xiangyu Ji (author) (Search by this author);Guang Feng (author) (Search by this author);Kateryna Goloviznina (author) (Search by this author);Alessandra Serva (author) (Search by this author);Mathieu Salanne (author) (Search by this author)Toshihiko Mandai (author) (Search by this author)National Institute for Materials Science (NIMS)
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;Tomooki Hosaka (author) (Search by this author);Mirna Alhanash (author) (Search by this author);Patrik Johansson (author) (Search by this author);Yun-Ze Qiu (author) (Search by this author);Hai Xiao (author) (Search by this author);Michael Eikerling (author) (Search by this author);Ryosuke Jinnouchi (author) (Search by this author);Marko M Melander (author) (Search by this author);Georg Kastlunger (author) (Search by this author);Assil Bouzid (author) (Search by this author);Alfredo Pasquarello (author) (Search by this author);Seung-Jae Shin (author) (Search by this author);Minho M Kim (author) (Search by this author);Hyungjun Kim (author) (Search by this author);Kathleen Schwarz (author) (Search by this author)Ravishankar Sundararaman (author) (Search by this author) - Keyword
- electrochemical interfaces, density-functional theory, molecular dynamics simulation, electrochemical energy storage, machine learning, electrocatalysis
- Date published
- 2023-10-01
- Updated at
- 2024-03-22 00:53:39 +0900
Artificial Intelligence‐Driven Nanoarchitectonics for Smart Targeted Drug Delivery
- Journal article
- Creator
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;Hayeon Bae (author) (Search by this author);Hyunsub Ji (author) (Search by this author);Konstantin Konstantinov (author) (Search by this author);Ronald Sluyter (author) (Search by this author)Katsuhiko Ariga (author) (Search by this author)National Institute for Materials Science
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;Yong Ho Kim (author) (Search by this author)Jung Ho Kim (author) (Search by this author)
- Keyword
- artificial intelligence, in silico optimization, machine learning, nanocarrier design, nanomedicine, targeted drug delivery
- Date published
- 2025-08-07
- Updated at
- 2025-10-28 12:30:13 +0900
Data-driven approaches for designing thermal insulating materials
- Conference presentation
- Creator
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Yen-Ju Wu (author) (Search by this author)Center for Basic Research on Materials/Data-driven Materials Research Field/Data-driven Inorganic Materials Group, National Institute for Materials Science
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Yibin Xu (author) (Search by this author)Center for Basic Research on Materials/Data-driven Materials Research Field/Data-driven Inorganic Materials Group, National Institute for Materials Science
- Keyword
- Interfacial thermal resistance, machine learning, thermal insulator, data-driven technique
- Date published
- Updated at
- 2024-12-25 16:30:37 +0900
Machine Learning as a “Catalyst” for Advancements in Carbon Nanotube Research
- Journal article
- Creator
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Guohai Chen (author) (Search by this author)
https://orcid.org/0000-0001-8481-0972
(unauthenticated)
;
Dai-Ming Tang (author) (Search by this author)
- Keyword
- machine learning, carbon nanotube, in situ TEM, growth mechanism
- Date published
- 2024-10-22
- Updated at
- 2024-12-24 13:58:23 +0900
Data-driven analysis and visualization of dielectric properties curated from scientific literature
- Journal article
- Creator
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Tomoki Murata (author) (Search by this author)
https://orcid.org/0000-0001-8698-9953
(unauthenticated)
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;Naoto Saito (author) (Search by this author);Eiji Koyama (author) (Search by this author);Ton Nu Thanh Phuong (author) (Search by this author);Ryusuke Misawa (author) (Search by this author);Satoshi Yokomizo (author) (Search by this author)Tomoya Mato (author) (Search by this author)
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Yu Takada (author) (Search by this author)
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Sakyo Hirose (author) (Search by this author)
https://orcid.org/0000-0003-4090-7806
(unauthenticated)
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Yukari Katsura (author) (Search by this author)
- Keyword
- Materials data analysis, database, data curation, dielectric materials, ferroelectric, machine learning, dimensionality reduction
- Date published
- 2025-12-31
- Updated at
- 2025-06-12 16:30:20 +0900
An interpretable linear model bridging data-driven analysis and chemical intuition for Eu 2+ -phosphor emissions
- Journal article
- Creator
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Yukinori Koyama (author) (Search by this author)
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;Ryusei Hayasaka (author) (Search by this author)Yuta Matsushima (author) (Search by this author)
https://orcid.org/0000-0001-5826-1551
(unauthenticated)
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Takayuki Nakanishi (author) (Search by this author)
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Takashi Takeda (author) (Search by this author)
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Naoto Hirosaki (author) (Search by this author)
- Keyword
- materials informatics, phosphor, europium, machine learning, interpretability, linear model, composition-based feature
- Date published
- 2026-12-31
- Updated at
- 2026-07-07 14:31:04 +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
- Journal article
- Creator
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JALEM Randy (author) (Search by this author)Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Interface Electrochemistry Group, National Institute for Materials Science
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TATEYAMA Yoshitaka (author) (Search by this author)Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Interface Electrochemistry Group, National Institute for Materials Science
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TAKADA Kazunori (author) (Search by this author)Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Solid-State Battery Group, National Institute for Materials Science
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JANG Seonghoon (author) (Search by this author)Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Interface Electrochemistry Group, National Institute for Materials Science
- Keyword
- all solid state batteries, solid electrolytes, density functional theory, materials informatics, machine learning, novel materials search
- Date published
- 2023-09-07
- Updated at
- 2024-08-28 08:30:15 +0900
Alloys innovation through machine learning: a statistical literature review
- Journal article
- Creator
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;Alireza Valizadeh (author) (Search by this author)Ryoji Sahara (author) (Search by this author)National Institute for Materials Science
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Maaouia Souissi (author) (Search by this author)
- Keyword
- Alloy development, machine learning, data-driven research, materials informatics, Materials Genome Initiative, Materials databases
- Date published
- 2024-12-31
- Updated at
- 2024-06-25 12:30:16 +0900
Dielectric tensor of perovskite oxides at finite temperature using equivariant graph neural network potentials
- Journal article
- Creator
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;Alex Kutana (author) (Search by this author)Nagoya University;Koki Yoshimochi (author) (Search by this author)Ryoji Asahi (author) (Search by this author)
- Keyword
- Graph neural network, machine learning, dielectrics, perovskite oxides, phase transitions
- Date published
- 2025-12-31
- Updated at
- 2025-07-18 10:24:15 +0900
Data-driven study of the enthalpy of mixing in the liquid phase
- Journal article
- Creator
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Guillaume Deffrennes (author) (Search by this author)
https://orcid.org/0000-0002-3752-2537
(unauthenticated)
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;Bengt Hallstedt (author) (Search by this author);Taichi Abe (author) (Search by this author);Quentin Bizot (author) (Search by this author);Evelyne Fischer (author) (Search by this author);Jean-Marc Joubert (author) (Search by this author);Kei Terayama (author) (Search by this author)Ryo Tamura (author) (Search by this author)
- Keyword
- enthalpy of mixing, machine learning, liquid phase
- Date published
- 2024-09-25
- Updated at
- 2024-10-05 08:30:08 +0900