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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
Journal article
Creator
Toshiyuki Koyama (author) (Search by this author)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI
Keyword
generative AI, LLM, LangGraph, Gibbs energy, Phase-field method, Jarzynski equality
Date published
2026-12-31
Updated at
2026-02-08 08:30:08 +0900
20260130 Donglin-Kawai br-mediated-spin-state-control-in-nickelocene-and-cobaltocene.pdf
Br-Mediated Spin-State Control in Nickelocene and Cobaltocene
Journal article
Creator
Donglin Li (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science
;
Nan Cao (author) (Search by this author)
Aalto University
;
Adam S. Foster (author) (Search by this author)
Aalto University
ORCID ;
Shigeki Kawai (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science
ORCID SAMURAI
Keyword
Nickelocene, Cobaltocene, scanning tunneling microscopy, Single-molecule magnets, Spin-state transition, density functional theory calculation
Date published
2026-01-28
Updated at
2026-02-08 08:30:04 +0900
s43246-025-01011-x.pdf
Near-surface defects break symmetry in water adsorption on CeO2−x(111)
Journal article
Creator
ORCID SAMURAI ;
Manuel González Lastre (author) (Search by this author)
ORCID ;
Kyungmin Kim (author) (Search by this author)
ORCID ;
Estefanía Fernández-Villanueva (author) (Search by this author)
ORCID ;
Pablo Pou (author) (Search by this author)
ORCID ;
Masayuki Abe (author) (Search by this author)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI ;
M. Verónica Ganduglia-Pirovano (author) (Search by this author)
ORCID ;
Ruben Perez (author) (Search by this author)
ORCID
Keyword
scanning probe microscopy, cerium dioxide, water, surface, thin films, density functional theory
Date published
2026-01-23
Updated at
2026-02-08 08:30:20 +0900
1-s2.0-S2238785426002267-main.pdf
Anisotropic elastic properties in glass, aramid, and carbon fibers
Journal article
Creator
ORCID SAMURAI ;
Chiemi Nagai (author) (Search by this author)
;
Keiichi Shirasu (author) (Search by this author)
Keyword
Fiber, Polymer-matrix composites (PMCs), Nanoindentation, Anisotropy, Elastic constants
Date published
2026-01-31
Updated at
2026-02-16 18:09:32 +0900
2021_Shinotsuka_eJSSNT19_70.pdf
First-principles Calculations of Optical Energy Loss Functions for 30 Compound and 5 Elemental Semiconductors
Journal article
Creator
Hiroshi Shinotsuka (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Hideki Yoshikawa (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Shigeo Tanuma (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI
Keyword
Energy loss function, Optical constant, First-principles calculation, Compound semiconductor, Inelastic mean free paths
Date published
2021-07-15
Updated at
2026-02-04 12:30:04 +0900
61_1.pdf
「若手の会」会長に就任して
Journal article
Creator
武田 泰明 (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI
Keyword
超電導, 低温工学
Date published
2026-01-20
Updated at
2026-02-02 16:30:11 +0900
Kimura_TETSU(2026).pdf
Delayed Fracture Mechanism of 1700 MPa-Class Quenched and Tempered Bolt under Atmospheric Corrosion Environment
Journal article
Creator
ORCID SAMURAI ; ORCID SAMURAI
Keyword
low-alloy steel, ultra-high-strength bolt, outdoor exposure test, delayed fracture, hydrogen embrittlement.
Date published
2026-02-01
Updated at
2026-03-04 12:30:15 +0900
Solar RRL - 2025 - Ishikawa - Outdoor Performance and Thermally Accelerated Degradation of Inverted Perovskite Solar Cells.pdf
Outdoor Performance and Thermally Accelerated Degradation of Inverted Perovskite Solar Cells
Journal article
Creator
Ryousuke Ishikawa (author) (Search by this author)
;
Hayato Okawa (author) (Search by this author)
;
Masatoshi Yanagida (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Yasuhiro Shirai (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Makoto Konagai (author) (Search by this author)
Keyword
perovskite, outdoor test, durability
Date published
2025-10-09
Updated at
2026-02-02 16:30:15 +0900
ChemCatChem - 2026 - Yamada - Efficient Room‐Temperature Methane Oxidation by ‐Nitrido‐Bridged Iron Phthalocyanine Dimer.pdf
Efficient Room‐Temperature Methane Oxidation by μ‐Nitrido‐Bridged Iron Phthalocyanine Dimer Deposited on Conductive Carbon Black
Journal article
Creator
Yasuyuki Yamada (author) (Search by this author)
;
Akiko Sakata (author) (Search by this author)
;
Yuka Toyoda (author) (Search by this author)
;
Chaoqi Chen (author) (Search by this author)
;
Satoshi Muratsugu (author) (Search by this author)
;
Yutaka Hitomi (author) (Search by this author)
;
Kin‐ichi Oyama (author) (Search by this author)
;
Akiyoshi Kuzume (author) (Search by this author)
; ORCID SAMURAI ;
Mizuki Tada (author) (Search by this author)
;
Kentaro Tanaka (author) (Search by this author)
Keyword
μ-nitrido-bridged dimer, carbon substrate, iron phthalocyanine, methane oxidation, scanning transmission electron microscopy
Date published
2026-01-31
Updated at
2026-02-02 16:30:07 +0900
insights-into-mxene-based-electrocatalysts-Published.pdf
Insights into MXene-Based Electrocatalysts for the Oxygen Evolution Reaction
Journal article
Creator
Jizhen Zhang (author) (Search by this author)
; ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI
Keyword
Two-dimensional materials, MXene, Catalysis, Water splitting, Oxygen evolution reaction
Date published
2026-01-09
Updated at
2026-02-02 16:30:04 +0900