Index Catalog // MDR

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

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

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

Description/Abstract:: Measuring the similarity between materials is essential for estimating their properties and revealing the associated physical mechanisms....
Keyword:: Curie temperature, Dempster–Shafer theory, evidence theory, magnetization, mixture of experts, physical mechanism, similarity evidence, transition rare-earth metal binary allloys, and visualization
Resource Type:: Article
Author:: Minh-Quyet Ha, Duong-Nguyen Nguyen, Viet-Cuong Nguyen, Hiori Kino, Yasunobu Ando, Takashi Miyake, Thierry Denœux, Van-Nam Huynh, and Hieu-Chi Dam
Date Uploaded:: 08/02/2023

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