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)
;
;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
Supercon 2 Dataset
- Dataset
- Creator
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Foppiano, Luca (author) (Search by this author)
- Keyword
- superconductors, machine learning, dataset, tdm, materials science
- Date published
- 2022-09-10
- Updated at
- 2022-10-18 10:11:01 +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
;
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
;
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
;
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
Computational discovery of stable Na-ion sulfide solid electrolytes with high conductivity at room temperature
- Journal article
- Creator
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Seong-Hoon Jang (author) (Search by this author)
https://orcid.org/0000-0001-6026-636X
(unauthenticated)
;
Randy Jalem (author) (Search by this author)National Institute for Materials Science
;
Yoshitaka Tateyama (author) (Search by this author)National Institute for Materials Science
- Keyword
- all solid state batteries, solid electrolytes, high-throughput first-principles calculation, computational materials search, machine learning, sodium ion conductors
- Date published
- 2024-08-05
- Updated at
- 2024-10-10 16:30:52 +0900