Vacuum and Surface Science
Online ISSN : 2433-5843
Print ISSN : 2433-5835
Special Feature : Research Forefront of Surface and Vacuum Science Developed by Data-Driven Approach
Acceleration of Interface Structure Searching via Machine Learning
Shin KIYOHARATeruyasu MIZOGUCHI
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2019 Volume 62 Issue 3 Pages 130-135

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Abstract

Interface plays crucial roles for mechanical and functional properties. Despite its importance, the structure-property relationships of the interface have not been fully understood because a determination of the interface structure accompanies huge computations which is caused by the degrees of geometrical freedom of the interface. The acceleration of the interface structure searching is important for the comprehensive understanding of the structure-property relationships of the interface. Here, we applied machine learning techniques for the interface structure searching. Two methods, virtual screening and kriging, are mainly introduced. Our methods achieved considerably high efficiency and can be applied to any materials.

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この記事はクリエイティブ・コモンズ [表示 - 非営利 4.0 国際]ライセンスの下に提供されています。
https://creativecommons.org/licenses/by-nc/4.0/deed.ja
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