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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
Efficient autonomous material search method combining ab initio calculations, autoencoder, and multi-objective Bayesian optimization
Description/Abstract:
Autonomous material search systems that combine ab initio calculations and Bayesian optimization are very promising for exploring huge ma...
Keyword:
Machine learning
,
ab-initio
, and
autonomous materials search
Resource Type:
Article
Author:
Yuma Iwasaki
,
Hwang Jaekyun
,
Yuya Sakuraba
,
Masato Kotsugi
, and
Yasuhiko Igarashi
Date Uploaded:
07/02/2023
Date Modified:
21/03/2024
Prediction of continuous cooling transformation diagram for weld heat affected zone by machine learning
Description/Abstract:
The continuous cooling transformation (CCT) diagram of steels is very important in considering the phase transformation depending on the ...
Keyword:
CCT
Resource Type:
Article
Author:
Satoshi Minamoto
,
Susumu Tsukamoto
,
Tadashi Kasuya
,
Makoto Watanabe
, and
Masahiko Demura
Date Uploaded:
09/02/2023
Date Modified:
20/03/2024
なぜ研究者個人が頼まれもしないのに研究データにdoiを振りたいのか
Description/Abstract:
オープンサイエンスの世界的な動きの一つに、論文発表内容に関連した未発表データのリポジトリへの登録・公開がある。研究データにDOIを振ることができれば、研究者個人レベルでの公開でも外部から発見される道が開かれ、将来の研究のタネを次の世代に引き継ぐことができる。
Keyword:
YouTube
,
doi
,
self-archiving
, and
video data
Resource Type:
Presentation
Author:
轟 眞市
Date Uploaded:
01/02/2023
Date Modified:
20/03/2024
Fiber fuse propagation modes for typical single-mode fibers
Description/Abstract:
The precise measurement of fusing speed revealed that its behavior varies depending on the plasma volume per pump beam diameter. Irregul...
Keyword:
fiber fuse
,
optical fiber
,
propagation modes
, and
void formation
Resource Type:
Poster
Author:
TODOROKI, Shin-ichi
Date Uploaded:
04/02/2023
Date Modified:
20/03/2024
Important Descriptors and Descriptor Groups of Curie Temperatures of Rare-earth Transition-metal Binary Alloys
Description/Abstract:
We analyze Curie temperatures of rare-earth transition metal binary alloys with machine learning method. In order to select important de...
Keyword:
Curie temperature
,
binary rare-earth transition metal
,
descriptor importance
,
exhaustive search
,
hierarchical clustering
, and
subgroup relevance analysis
Resource Type:
Article
Author:
Hieu Chi Dam
,
Viet Cuong Nguyen
,
Tien Lam Pham
,
Anh Tuan Nguyen
,
Kiyoyuki Terakura
,
Takashi Miyake
, and
Hiori Kino
Date Uploaded:
10/02/2023
Date Modified:
20/03/2024
Understanding the evolution of a de novo molecule generator via characteristic functional group monitoring
Description/Abstract:
AIを用いた機能性有機化合物の開発。
Keyword:
De novo molecule generation
,
characteristic functional group monitoring
,
chromophore
, and
deep learning
Resource Type:
Article
Author:
Takehiro Fujita
,
Kei Terayama
,
Masato Sumita
,
Ryo Tamura
,
Yasuyuki Nakamura
,
Masanobu Naito
, and
Koji Tsuda
Date Uploaded:
15/02/2023
Date Modified:
20/03/2024
原子論に基づく次世代マイクロマグネティクスによる 保磁力制御法の開発
Description/Abstract:
永久磁石の保磁力の制御は、高いエネルギー変換効率の実現へ向けて重要な課題である。高温で高保磁力化をめざす研究は数多く行われているが、保磁力の起源は依然としてよく分かっていない。本研究は、原子論を基礎とした新しい方法論を用いて、ジスプロシウム置換効果でネオジム磁石が保磁力増強...
Keyword:
atomistic theory
,
coercivity
,
dysprosium substitution
,
microscopic mechanism
,
neodymium magnets
, and
thermal fluctuation
Resource Type:
Report
Author:
西野 正理
,
早坂 太志
, and
宮下精二
Date Uploaded:
19/03/2024
Thin Membranes using PFSA-Vinylon Intermediate Layer for PEM Fuel Cells
Description/Abstract:
We have developed a PFSA-vinylon laminated ultra-thin membrane, which is easy to handle even for 10 μm or less and can be used for fuel c...
Keyword:
Fuel cells
,
Lamination
,
PFSA
,
PVA
,
Thin membrane
, and
Vinylon
Resource Type:
Poster
Author:
金 済徳
,
Kazuya Yamasaki
, and
Hitoshi Ishimoto
Date Uploaded:
19/03/2024
表面電子分光法における信号の減衰は如何に記述されるか? IV. 単位系,平均自由行程, 一般化振動子強度
Description/Abstract:
実用表面電子分光法において,電子の非弾性散乱は固体中における電子輸送に関連するので,その理解は大変に重要である。そこで,すでに出版した「表面電子分光法における信号の減衰は如何に記述されるか?」I, II, IIIに続いて,実際的な電子の非弾性散乱の理解および計算に必要となる...
Keyword:
IMFP
,
一般化振動子強度
,
光学的振動子強度
,
双極子振動子強度
,
平均自由行程
, and
表面電子分光
Resource Type:
Article
Author:
田沼 繁夫
Date Uploaded:
03/02/2023
データ時代の材料研究
Description/Abstract:
材料は網羅的なビッグデータ構築が困難であり、実験データの再利用を進めつつ、少量のデータを有効に活用していく手法開発が必要となる。加えて、計算シミュレーションによるデータ創出を活用していくことも重要となる。NIMSにおけるデータ駆動研究の取り組みを紹介するとともに、基盤となる...
Keyword:
データ駆動型
and
材料データプラットフォーム
Resource Type:
Article
Author:
出村 雅彦
Journal:
Kobunshi
Date Uploaded:
24/10/2023
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