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Filtering by: Funder MEXT Type of work Publication Publisher National Institute for Materials Science Resource type Article Rights Statement Sim Creative Commons BY Attribution 4.0 International

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
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
Evidence-based data mining method to reveal similarities between materials based on physical mechanisms

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