4328 records found.

Dataset
Preprocessing Method for Spectra Interpreted by the Power Law Using Segment Regression
Journal article
Creator
ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI
Keyword
Photoelectron Yield Spectroscopy:, segment regression, Power Law
Date published
2024-11-26
Updated at
2024-12-04 14:52:47 +0900
main.pdf
High-throughput computational screening of Heusler compounds with phonon considerations for enhanced material discovery
Journal article
Creator
Enda Xiao (author) (Search by this author)
ORCID ; ORCID SAMURAI
Keyword
Heusler alloys, High-throughput calculations, Phonon stability, Curie temperature, Compensated ferrimagnet
Date published
2025-07-16
Updated at
2025-09-11 12:30:19 +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
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
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
Advanced Materials - 2024 - Stier - Materials Acceleration Platforms MAPs Accelerating Materials Research and.pdf
Materials Acceleration Platforms (MAPs): Accelerating Materials Research and Development to Meet Urgent Societal Challenges
Journal article
Creator
Simon P. Stier (author) (Search by this author)
ORCID ;
Christoph Kreisbeck (author) (Search by this author)
;
Holger Ihssen (author) (Search by this author)
;
Matthias Albert Popp (author) (Search by this author)
ORCID ;
Jens Hauch (author) (Search by this author)
ORCID ;
Kourosh Malek (author) (Search by this author)
ORCID ;
Marine Reynaud (author) (Search by this author)
ORCID ;
T.P.M. Goumans (author) (Search by this author)
;
Johan Carlsson (author) (Search by this author)
ORCID ;
Ilian Todorov (author) (Search by this author)
;
Lukas Gold (author) (Search by this author)
ORCID ;
Andreas Räder (author) (Search by this author)
ORCID ;
Wolfgang Wenzel (author) (Search by this author)
ORCID ;
Shahbaz Tareq Bandesha (author) (Search by this author)
ORCID ;
Philippe Jacques (author) (Search by this author)
;
Francisco Garcia‐Moreno (author) (Search by this author)
ORCID ;
Oier Arcelus (author) (Search by this author)
ORCID ;
Pascal Friederich (author) (Search by this author)
ORCID ;
Simon Clark (author) (Search by this author)
ORCID ;
Mario Maglione (author) (Search by this author)
ORCID ;
Anssi Laukkanen (author) (Search by this author)
ORCID ;
Ivano Eligio Castelli (author) (Search by this author)
ORCID ;
Javier Carrasco (author) (Search by this author)
ORCID ;
Montserrat Casas Cabanas (author) (Search by this author)
ORCID ;
Helge Sören Stein (author) (Search by this author)
ORCID ;
Ozlem Ozcan (author) (Search by this author)
ORCID ;
David Elbert (author) (Search by this author)
ORCID ;
Karsten Reuter (author) (Search by this author)
ORCID ;
Christoph Scheurer (author) (Search by this author)
; ORCID SAMURAI ;
Sang Soo Han (author) (Search by this author)
;
Tejs Vegge (author) (Search by this author)
ORCID ;
Sawako Nakamae (author) (Search by this author)
ORCID ;
Monica Fabrizio (author) (Search by this author)
ORCID ;
Mark Kozdras (author) (Search by this author)
ORCID
Keyword
advanced materials, artificial intelligence, autonomous labs, materials acceleration platforms, societal challenges
Date published
2024-09-06
Updated at
2024-11-11 16:30:34 +0900
1127_solr.202300535_R1.pdf
Advancing Efficiency and Stability of Lead, Tin, and Lead/Tin Perovskite Solar Cells: Strategies and Perspectives
Journal article
Creator
Dhruba B. Khadka (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 ;
Masatoshi Yanagida (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
James W. Ryan (author) (Search by this author)
;
Zhaoning Song (author) (Search by this author)
;
Bobby G. Barker (author) (Search by this author)
;
Tara P. Dhakal (author) (Search by this author)
;
Kenjiro Miyano (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI
Keyword
Perovskite solar cells, Interface engineering, Device stability, Sn-Pb perovskite, Tin perovskite
Date published
2023-08-30
Updated at
2024-11-28 16:30:38 +0900
Main Article-Authors Accepted draft.pdf
Fullerene-driven photocarrier processes in perovskite solar cells: recent advances
Journal article
Creator
Muhammad Waqas (author) (Search by this author)
; ORCID SAMURAI ;
Abdul Haseeb Hassan Khan (author) (Search by this author)
;
Ying-Chiao Wang (author) (Search by this author)
ORCID
Keyword
Perovskite solar cells, Fullerenes, Charge-carrier dynamics, Electron transport material, Interfacial modifiers
Date published
2025-06-13
Updated at
2025-07-14 09:36:30 +0900
CEJ_Advances in polymerinorganic nanocomposite fabrics for lightweight_au-compressed.pdf
Advances in polymer/inorganic nanocomposite fabrics for lightweight and high-strength armor and ballistic-proof materials
Journal article
Creator
Mohamed S. Selim (author) (Search by this author)
;
Sherif A. El-Safty (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Mohamed A. Shenashen (author) (Search by this author)
;
Ahmed Elmarakbi (author) (Search by this author)
Keyword
Superlightweight, Ballistic-proof, impact energy, bullet mushrooming, armor material, nanoengineered composites
Date published
2024-05-22
Updated at
2024-11-21 16:09:10 +0900
Solovyev_2024_J._Phys.__Condens._Matter_36_223001.pdf
Linear response theories for interatomic exchange interactions
Journal article
Creator
I V Solovyev (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI
Keyword
electronic structure, linear response theory, exchange interactions, Dzyaloshinskii–Moriya interactions, ligand states, transition-metal oxides and related compounds
Date published
2024-06-05
Updated at
2024-03-19 16:57:38 +0900