Keyword: machine learning

35 records found.

Acquiring and transferring comprehensive catalyst knowledge through integrated high-throughput experimentation and automatic feature engineering.pdf
Acquiring and transferring comprehensive catalyst knowledge through integrated high-throughput experimentation and automatic feature engineering
Journal article
Creator
Ayu Fujiwara (author) (Search by this author)
Graduate School of Advanced Science and Technology, Japan Advanced Institute of Science and Technology
;
Sunao Nakanowatari (author) (Search by this author)
Graduate School of Advanced Science and Technology, Japan Advanced Institute of Science and Technology
;
Yohei Cho (author) (Search by this author)
Graduate School of Advanced Science and Technology, Japan Advanced Institute of Science and Technology
;
Toshiaki Taniike (author) (Search by this author)
Graduate School of Advanced Science and Technology, Japan Advanced Institute of Science and Technology
Keyword
Catalyst informatics, machine learning, high-throughput experimentation, descriptor, oxidative coupling of methane
Date published
2025-12-31
Updated at
2025-07-16 16:17:04 +0900

esi_clean.pdf
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
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
ORCID SAMURAI ;
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
ORCID SAMURAI ;
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
ORCID SAMURAI ;
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

jmca2024_NaSulfideConductor_esi_rj.pdf
Computational discovery of stable Na-ion sulfide solid electrolytes with high conductivity at room temperature
Journal article
Creator
Seong-Hoon Jang (author) (Search by this author)
ORCID ;
Randy Jalem (author) (Search by this author)
ORCID SAMURAI ;
Yoshitaka Tateyama (author) (Search by this author)
ORCID SAMURAI
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

STAMMethods4(2024)2326305.pdf
Alloys innovation through machine learning: a statistical literature review
Journal article
Creator
Alireza Valizadeh (author) (Search by this author)
;
Ryoji Sahara (author) (Search by this author)
ORCID SAMURAI ;
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

Dataset
Supercon 2 Dataset
Dataset
Creator
ORCID
Keyword
superconductors, machine learning, dataset, tdm, materials science
Date published
2022-09-10
Updated at
2022-10-18 10:11:01 +0900

AdvMater.25_37_e10239.pdf
Artificial Intelligence‐Driven Nanoarchitectonics for Smart Targeted Drug Delivery
Journal article
Creator
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)
ORCID SAMURAI ;
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

74_Roadmap_J Phys Energy 2023_Roadmap on molecular modelling of electrochemical energy materials.pdf
2023 Roadmap on molecular modelling of electrochemical energy materials
Journal article
Creator
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)
ORCID SAMURAI ;
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

ChemPlusChem25_90_e202500342.pdf
Machine Learning—Guided Design of Biomass‐Based Porous Carbon for Aqueous Symmetric Supercapacitors
Journal article
Creator
Manickam Minakshi (author) (Search by this author)
ORCID ;
Apsana Sharma (author) (Search by this author)
;
Ferdous Sohel (author) (Search by this author)
;
Almantas Pivrikas (author) (Search by this author)
ORCID ;
Pragati A. Shinde (author) (Search by this author)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI
Keyword
biomass, carbon, dopant, energy, machine learning, storage
Date published
2025-10-09
Updated at
2025-10-21 16:06:10 +0900

Advanced Science - 2025 - Si - Capacity Estimation and Knee Point Prediction Using Electrochemical Impedance Spectroscopy.pdf
Capacity Estimation and Knee Point Prediction Using Electrochemical Impedance Spectroscopy for Lithium Metal Battery Degradation via Machine Learning
Journal article
Creator
Qianli Si (author) (Search by this author)
National Institute for Materials Science
;
Shoichi Matsuda (author) (Search by this author)
ORCID SAMURAI ;
Yasunobu Ando (author) (Search by this author)
;
Toshiyuki Momma (author) (Search by this author)
;
Yoshitaka Tateyama (author) (Search by this author)
ORCID SAMURAI
Keyword
lithium metal battery, machine learning
Date published
2025-05-05
Updated at
2025-09-09 12:30:20 +0900