Index Catalog // MDR

Description/Abstract:: Based on available datasets prepared by numerical simulations and machine learning, maps of properties for materials that have not yet be...
Keyword:: Pareto solutions, free energy, and semiconductor
Resource Type:: Article
Author:: Ryo Tamura, Kei Terayama, Masato Sumita, and Koji Tsuda
Journal:: Physical Review Materials
Date Uploaded:: 04/10/2023
Date Modified:: 04/10/2023

Description/Abstract:: Stimuli-responsive polymers with complicated but controllable shape-morphing behaviors are critically desirable in several engineering f...
Keyword:: Covalent adaptable network polymer, creep deformation, shape-morphing polymer material, and topological alternation
Resource Type:: Article
Author:: Wei-Hsun Hu, Ta-Te Chen, Ryo Tamura, Kei Terayama, Siqian Wang, Ikumu Watanabe, and Masanobu Naito
Date Uploaded:: 02/03/2023

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

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

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