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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
ジャーナル論文
著者
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
ORCID SAMURAI ;
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
ORCID SAMURAI ;
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
ORCID SAMURAI ;
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
Dataset
MaterialBERT for Natural Language Processing of Materials Science Texts
ジャーナル論文
著者
KAWANO, Hiroyuki (author) (この著者で検索)
Ridgelinez Limited
;
SATO, Fumitaka (author) (この著者で検索)
Ridgelinez Limited
;
YOSHITAKE, Michiko (author) (この著者で検索)
National Institute for Materials Science MaDIS
ORCID SAMURAI ;
MOTEKI, Fuma (operator) (この著者で検索)
Ridgelinez Limited
;
TERAOKA, Hiroshi (author) (この著者で検索)
Ridgelinez Limited
キーワード
word embedding, pre-training, BERT, literal information
刊行年月日
更新時刻
2025-04-15 08:30:11 +0900
Simple implementation examples of agent AI on free energy calculation and phase-field simulation.pdf
Simple implementation examples of agent AI on free energy calculation and phase-field simulation
ジャーナル論文
著者
Toshiyuki Koyama (author) (この著者で検索)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI
キーワード
generative AI, LLM, LangGraph, Gibbs energy, Phase-field method, Jarzynski equality
刊行年月日
2026-12-31
更新時刻
2026-02-08 08:30:08 +0900
Ogawa (2025)_Overview of gaseous hydrogen-assisted fatigue crack growth in ferritic iron and steels Bridging micro and macro.pdf
Overview of gaseous hydrogen-assisted fatigue crack growth in ferritic iron and steels: Bridging micro and macro
ジャーナル論文
著者
Yuhei Ogawa (author) (この著者で検索)
National Institute for Materials Science Research Center for Structural Materials
ORCID SAMURAI ;
Osamu Takakuwa (author) (この著者で検索)
Kyushu University Department of Mechanical Engineering
;
Akinobu Shibata (author) (この著者で検索)
National Institute for Materials Science Research Center for Structural Materials
ORCID SAMURAI
キーワード
Hydrogen embrittlement, Ferritic steel, Fatigue crack growth, Crack path, Deformation microstructure
刊行年月日
2025-01-18
更新時刻
2025-01-20 16:30:23 +0900
toast-0.6.0-manual-0.8-en.pdf
TOAST: Template Oriented Atomic Simulation Toolkit
データセット
著者
ORCID SAMURAI ; ORCID SAMURAI
キーワード
CompES-X, toolkit, First-principles calculation, atomic simulation
刊行年月日
2020-11-20
更新時刻
2022-10-03 01:26:50 +0900
A data-driven elucidation of the challenges in designing stable quinone derivatives for aqueous organic redox flow batteries correlations between the.pdf
A data-driven elucidation of the challenges in designing stable quinone derivatives for aqueous organic redox flow batteries: correlations between thermodynamics of chemical degradation and energy capacity metrics
ジャーナル論文
著者
Ning Lu (author) (この著者で検索)
RWTH Aachen University a MODES, the Integrated Fuel & Chemical Science Centre
;
Shiyao Ju (author) (この著者で検索)
;
Daniel Willimetz (author) (この著者で検索)
;
Shengming Tang (author) (この著者で検索)
;
Abhishek Khetan (author) (この著者で検索)
キーワード
Aqueous organic redox flow batteries, quinone stability, degradation, molecular design, high-throughput screening, durability, grid-scale energy storage
刊行年月日
2026-07-16
更新時刻
2026-07-17 13:28:23 +0900
An overview of the recent developments in biodegradable Mg-Zn alloy.pdf
An overview of the recent developments in biodegradable Mg-Zn alloy
ジャーナル論文
著者
ORCID SAMURAI ; ORCID SAMURAI
キーワード
Degradation, Temporary implant; Biocompatibility, Mg-Zn alloy
刊行年月日
2025-02-03
更新時刻
2025-03-27 17:44:04 +0900
Ouaj_2025_2D_Mater._12_015017.pdf
Benchmarking the integration of hexagonal boron nitride crystals and thin films into graphene-based van der Waals heterostructures
ジャーナル論文
著者
Taoufiq Ouaj (author) (この著者で検索)
ORCID ;
Christophe Arnold (author) (この著者で検索)
ORCID ;
Jon Azpeitia (author) (この著者で検索)
ORCID ;
Sunaja Baltic (author) (この著者で検索)
;
Julien Barjon (author) (この著者で検索)
ORCID ;
José Cascales (author) (この著者で検索)
ORCID ;
Huanyao Cun (author) (この著者で検索)
ORCID ;
David Esteban (author) (この著者で検索)
ORCID ;
Mar Garcia-Hernandez (author) (この著者で検索)
ORCID ;
Vincent Garnier (author) (この著者で検索)
;
Subodh K Gautam (author) (この著者で検索)
;
Thomas Greber (author) (この著者で検索)
ORCID ;
Said Said Hassani (author) (この著者で検索)
;
Adrian Hemmi (author) (この著者で検索)
;
Ignacio Jiménez (author) (この著者で検索)
ORCID ;
Catherine Journet (author) (この著者で検索)
ORCID ;
Paul Kögerler (author) (この著者で検索)
ORCID ;
Annick Loiseau (author) (この著者で検索)
ORCID ;
Camille Maestre (author) (この著者で検索)
ORCID ;
Marvin Metzelaars (author) (この著者で検索)
ORCID ;
Philipp Schmidt (author) (この著者で検索)
ORCID ;
Christoph Stampfer (author) (この著者で検索)
ORCID ;
Ingrid Stenger (author) (この著者で検索)
ORCID ;
Philippe Steyer (author) (この著者で検索)
; ORCID SAMURAI ;
Bérangère Toury (author) (この著者で検索)
ORCID ; ORCID SAMURAI ;
Bernd Beschoten (author) (この著者で検索)
ORCID
キーワード
Boron nitride, electronic properties, graphene
刊行年月日
2025-01-01
更新時刻
2025-02-03 12:30:33 +0900
s41467-025-58608-6.pdf
Quantifying hydrogen bonding using electrically tunable nanoconfined water
ジャーナル論文
著者
Ziwei Wang (author) (この著者で検索)
;
Anupam Bhattacharya (author) (この著者で検索)
;
Mehmet Yagmurcukardes (author) (この著者で検索)
;
Vasyl Kravets (author) (この著者で検索)
;
Pablo Díaz-Núñez (author) (この著者で検索)
;
Ciaran Mullan (author) (この著者で検索)
;
Ivan Timokhin (author) (この著者で検索)
;
Takashi Taniguchi (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Kenji Watanabe (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Alexander N. Grigorenko (author) (この著者で検索)
;
Francois Peeters (author) (この著者で検索)
;
Kostya S. Novoselov (author) (この著者で検索)
;
Qian Yang (author) (この著者で検索)
;
Artem Mishchenko (author) (この著者で検索)
キーワード
hydrogen bonding, nanoconfined water
, electric field tuning
刊行年月日
2025-04-15
更新時刻
2026-05-18 10:24:25 +0900
s41567-025-03075-5.pdf
Hybrid Frenkel–Wannier excitons facilitate ultrafast energy transfer at a 2D–organic interface
ジャーナル論文
著者
Wiebke Bennecke (author) (この著者で検索)
;
Ignacio Gonzalez Oliva (author) (この著者で検索)
;
Jan Philipp Bange (author) (この著者で検索)
;
Paul Werner (author) (この著者で検索)
;
David Schmitt (author) (この著者で検索)
;
Marco Merboldt (author) (この著者で検索)
;
Anna M. Seiler (author) (この著者で検索)
;
Kenji Watanabe (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Takashi Taniguchi (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Daniel Steil (author) (この著者で検索)
;
R. Thomas Weitz (author) (この著者で検索)
;
Peter Puschnig (author) (この著者で検索)
;
Claudia Draxl (author) (この著者で検索)
;
G. S. Matthijs Jansen (author) (この著者で検索)
;
Marcel Reutzel (author) (この著者で検索)
;
Stefan Mathias (author) (この著者で検索)
キーワード
hybrid excitons
, 2D-organic interface
, energy transfer

刊行年月日
2025-10-29
更新時刻
2026-03-03 08:30:21 +0900
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