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Kei Terayama
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Masato Sumita
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1.
Ranking Pareto optimal solutions based on projection free energy
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
2.
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
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De novo molecule generation
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English
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American Physical Society (APS)
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Kei Terayama
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Koji Tsuda
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Physical Review Materials
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