9 records found. Displaying records 1 to 9.

PhysRevMaterials.7.093804.pdf
Ranking Pareto optimal solutions based on projection free energy
Journal article
Creator
Ryo Tamura (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Kei Terayama (author) (Search by this author)
;
Masato Sumita (author) (Search by this author)
;
Koji Tsuda (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI
Keyword
Pareto solutions, free energy, semiconductor
Date published
2023-09-19
Updated at
2024-01-05 22:11:58 +0900
s41598-024-76800-4 (1).pdf
Performance of uncertainty-based active learning for efficient approximation of black-box functions in materials science
Journal article
Creator
Ai Koizumi (author) (Search by this author)
;
Guillaume Deffrennes (author) (Search by this author)
;
Kei Terayama (author) (Search by this author)
; ORCID SAMURAI
Keyword
active learning, black-box function, materials informatics
Date published
2024-11-06
Updated at
2024-11-21 16:35:14 +0900
Advanced Intelligent Systems - 2024 - Sato - Target Material Property‐Dependent Cluster Analysis of Inorganic Compounds.pdf
Target Material Property‐Dependent Cluster Analysis of Inorganic Compounds
Journal article
Creator
Nobuya Sato (author) (Search by this author)
ORCID ;
Akira Takahashi (author) (Search by this author)
ORCID ;
Shin Kiyohara (author) (Search by this author)
ORCID ;
Kei Terayama (author) (Search by this author)
ORCID ;
Ryo Tamura (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Fumiyasu Oba (author) (Search by this author)
ORCID
Keyword
Cluster Analysis, Inorganic Compounds
Date published
2024-08-05
Updated at
2024-08-19 16:30:18 +0900
hu_stam2022.pdf
Topological alternation from structurally adaptable to mechanically stable crosslinked polymer
Journal article
Creator
Wei-Hsun Hu (author) (Search by this author)
National Institute for Materials Science
;
Ta-Te Chen (author) (Search by this author)
National Institute for Materials Science
;
Ryo Tamura (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Kei Terayama (author) (Search by this author)
;
Siqian Wang (author) (Search by this author)
National Institute for Materials Science
;
Ikumu Watanabe (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Masanobu Naito (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI
Keyword
Covalent adaptable network polymer, shape-morphing polymer material, creep deformation, topological alternation
Date published
2022-12-31
Updated at
2024-01-05 22:12:52 +0900
Understanding the evolution of a de novo molecule generator via characteristic functional group monitoring.pdf
Understanding the evolution of a de novo molecule generator via characteristic functional group monitoring
Journal article
Creator
Takehiro Fujita (author) (Search by this author)
National Institute for Materials Science
ORCID ;
Kei Terayama (author) (Search by this author)
;
Masato Sumita (author) (Search by this author)
;
Ryo Tamura (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Yasuyuki Nakamura (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Masanobu Naito (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Koji Tsuda (author) (Search by this author)
Keyword
characteristic functional group monitoring, chromophore, De novo molecule generation, deep learning
Date published
2022-12-31
Updated at
2024-01-05 22:13:36 +0900
s43246-024-00580-7.pdf
AIPHAD, an active learning web application for visual understanding of phase diagrams
Journal article
Creator
Ryo Tamura (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Haruhiko Morito (author) (Search by this author)
;
Guillaume Deffrennes (author) (Search by this author)
National Institute for Materials Science
;
Masanobu Naito (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Yoshitaro Nose (author) (Search by this author)
;
Taichi Abe (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Kei Terayama (author) (Search by this author)
Keyword
phase diagram, artificial intelligence, active learning
Date published
2024-07-31
Updated at
2024-08-26 16:30:23 +0900
1-s2.0-S0364591624000877-main.pdf
Data-driven study of the enthalpy of mixing in the liquid phase
Journal article
Creator
Guillaume Deffrennes (author) (Search by this author)
ORCID ;
Bengt Hallstedt (author) (Search by this author)
;
Taichi Abe (author) (Search by this author)
;
Quentin Bizot (author) (Search by this author)
;
Evelyne Fischer (author) (Search by this author)
;
Jean-Marc Joubert (author) (Search by this author)
;
Kei Terayama (author) (Search by this author)
; ORCID SAMURAI
Keyword
enthalpy of mixing, machine learning, liquid phase
Date published
2024-09-25
Updated at
2024-10-05 08:30:08 +0900
CrySPY a crystal structure prediction tool accelerated by machine learning.pdf
CrySPY: a crystal structure prediction tool accelerated by machine learning
Journal article
Creator
Tomoki Yamashita (author) (Search by this author)
;
Shinichi Kanehira (author) (Search by this author)
;
Nobuya Sato (author) (Search by this author)
;
Hiori Kino (author) (Search by this author)
National Institute for Materials Science
ORCID ;
Kei Terayama (author) (Search by this author)
;
Hikaru Sawahata (author) (Search by this author)
;
Takumi Sato (author) (Search by this author)
;
Futoshi Utsuno (author) (Search by this author)
;
Koji Tsuda (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Takashi Miyake (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Tamio Oguchi (author) (Search by this author)
Keyword
crystal structure prediction, Bayesian optimization, LAQA, first-principles calculations, evolutionary algorithm
Date published
2021-01-01
Updated at
2024-04-02 23:51:18 +0900
Theoretical and data-driven approaches to semiconductors and dielectrics from prediction to experiment.pdf
Theoretical and data-driven approaches to semiconductors and dielectrics: from prediction to experiment
Journal article
Creator
Fumiyasu Oba (author) (Search by this author)
ORCID ;
Takayuki Nagai (author) (Search by this author)
ORCID ;
Ryoji Katsube (author) (Search by this author)
ORCID ;
Yasuhide Mochizuki (author) (Search by this author)
ORCID ;
Masatake Tsuji (author) (Search by this author)
ORCID ;
Guillaume Deffrennes (author) (Search by this author)
ORCID ;
Kota Hanzawa (author) (Search by this author)
ORCID ;
Akitoshi Nakano (author) (Search by this author)
ORCID ;
Akira Takahashi (author) (Search by this author)
ORCID ;
Kei Terayama (author) (Search by this author)
ORCID ;
Ryo Tamura (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Hidenori Hiramatsu (author) (Search by this author)
ORCID ;
Yoshitaro Nose (author) (Search by this author)
ORCID ;
Hiroki Taniguchi (author) (Search by this author)
ORCID
Keyword
semiconductors, dielectrics
Date published
2024-12-31
Updated at
2024-12-25 16:31:05 +0900
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