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CrySPY: a crystal structure prediction tool accelerated by machine learning
Description/Abstract:
We have developed an open-source software called CrySPY, which is a crystal structure prediction tool written in Python 3, ...
Keyword:
evolutionary algorithm
,
Bayesian optimization
,
LAQA
,
crystal structure prediction
, and
first-principles calculations
Resource Type:
Article
Author:
Tomoki Yamashita
,
Shinichi Kanehira
,
Nobuya Sato
,
Hiori Kino
,
Kei Terayama
,
Hikaru Sawahata
,
Takumi Sato
,
Futoshi Utsuno
,
Koji Tsuda
,
Takashi Miyake
, and
Tamio Oguchi
Date Uploaded:
10/02/2023
Date Modified:
02/04/2024
Raw data files for Fig. 6 Auger depth profiles in "Auger Depth Profiling Analysis of HfO2/Si Specimen Using an Ultra Low Angle Incidence Ion Beam"
Description/Abstract:
We have investigated the Auger depth profiling analysis of HfO2/Si by the glancing-angle ion beam sputtering method at an incident angle ...
Keyword:
Auger depth profiling analysis
,
HfO2/Si
, and
Ultra low angle incidence ion beam
Resource Type:
Dataset
Data origin:
experiments
Author:
OGIWARA, Toshiya
,
NAGATA, Takahiro
, and
YOSHIKAWA, Hideki
Date Uploaded:
09/02/2023
Date Modified:
30/03/2024
Materials Data Platform: a constellation of systems to promote materials data-oriented science
Description/Abstract:
A constellation of research data systems is being developed, to boost a more data-oriented approach to materials science. Four main funct...
Keyword:
Data-oriented science
,
Database
,
Materials data platform
,
Materials digital transform
,
Materials informatics
,
Metadata
, and
Research data management
Resource Type:
Poster
Author:
MATSUDA Asahiko
,
KADOHIRA Takuya
,
YOSHIKAWA Hideki
,
ISHII Masashi
,
DEMURA Masahiko
, and
TANIFUJI Mikiko
Date Uploaded:
21/01/2023
Date Modified:
30/03/2024
研究者から見たMendeley
Description/Abstract:
ユーザ目線では「クラウドによる文献管理」と見えるMendeleyは、アプリケーション側からみれば「文献利用度データベース」となり、そのデータはMendeley APIとして公開されている。これは、研究者がMendeleyを利用していなくても、自分の論文の読まれ方が公開されて...
Keyword:
ImpactStory
,
Mendeley
,
ORCID
, and
readership statistics
Resource Type:
Presentation
Author:
轟 眞市
Date Uploaded:
03/02/2023
Date Modified:
29/03/2024
“Word”で数式をきれいに記述するには
Description/Abstract:
Wordにおける数式入力において、論文誌指定のLaTeX形式のフォントに変更する方法、また記述をUniCode形式にすることでのメリットを紹介する。さらに数式の引用時に便利なMathpix snipソフトウェアの紹介と、その利用方法、Wordとの連携について紹介した。
Keyword:
LaTex
,
XITS Math
, and
word
Resource Type:
Article
Author:
原田 善之
and
田沼 繁夫
Date Uploaded:
03/02/2023
Date Modified:
29/03/2024
Evidence-based recommender system for high-entropy alloys
Description/Abstract:
Existing data-driven approaches for exploring high-entropy alloys (HEAs) face three challenges: numerous element-combination candidates, ...
Keyword:
recommender system
,
Dempster–Shafer theory
,
evidence theory
, and
high-entropy alloys
Resource Type:
Article
Author:
Minh-Quyet Ha
,
Duong-Nguyen Nguyen
,
Viet-Cuong Nguyen
,
Takahiro Nagata
,
Toyohiro Chikyow
,
Hiori Kino
,
Takashi Miyake
,
Thierry Denœux
,
Van-Nam Huynh
, and
Hieu-Chi Dam
Date Uploaded:
09/02/2023
Date Modified:
29/03/2024
Forced Gradient Copolymer for Rational Design of Mussel-Inspired Adhesives and Dispersants
Description/Abstract:
イガイの接着機構を模倣した接着性ポリマーにおいて、接着部位の位置がAl-Al間の接着強度やチタン酸バリウムの分散性に影響を及ぼすことを明らかにした。
Keyword:
dispersant
,
BaTiO3
,
L-3,4- dihydroxyphenylalanine
,
adhesive
,
dopamine
,
forced gradient polymer
,
gallic acid
, and
mussel-inspired polymer
Resource Type:
Article
Author:
Takehiro Fujita
,
Masami Shuta
,
Mika Mano
,
Shinnosuke Matsumoto
,
Atsushi Nagasawa
,
Akihiro Yamada
, and
Masanobu Naito
Date Uploaded:
15/02/2023
Date Modified:
28/03/2024
Automatic exhaustive calculations of large material space by Korringa-Kohn-Rostoker coherent potential approximation method — Applied to equiatomic quaternary high entropy alloys
Description/Abstract:
Automatic exhaustive exploration of a large material space by high-performance supercomput- ers is crucial for developing new functional...
Keyword:
AkaiKKR
,
Automatic exhaustive exploration
,
Curie temperature
,
law aquisition
,
magnetization
,
quaternary high entropy alloys
, and
residual resistivity
Resource Type:
Article
Author:
T. Fukushima
,
H. Akai
,
T. Chikyow
, and
H. Kino
Date Uploaded:
09/02/2023
Date Modified:
28/03/2024
Relationship Extraction with Weakly Supervised Learning Based on Process-Structure-Property-Performance Reciprocity
Description/Abstract:
We developed a computer aided material design system that extracts relationships from natural language texts in weakly labeled data. We b...
Keyword:
Natural language processing
,
knowledge extraction
,
materials informatics
,
relation extraction
, and
weakly supervised learning
Resource Type:
Article
Author:
Takeshi Onishi
,
Takuya Kadohira
, and
Ikumu Watanabe
Date Uploaded:
17/02/2023
Date Modified:
22/03/2024
Function Decomposition Tree with Causality-First Perspective and Systematic Description of Problems in Materials Informatics
Description/Abstract:
As interdisciplinary science is flourishing because of materials informatics and additional factors; a systematic way is required for exp...
Keyword:
functional decomposition
,
knowledge sharing
,
materials informatics
, and
ontology
Resource Type:
Report
Author:
Hiori Kino
,
Hieu Chi Dam
,
Takashi Miyake
, and
Riichiro Mizoguchi
Date Uploaded:
08/02/2023
Date Modified:
22/03/2024
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Anisotropic permanent magnets fabricated by hot extrusion using a commercial Nd14Fe76Co3.4B6Ga0.6 (at%) powder (MQU-F™)
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