articleJournal of MateriomicsAug 8, 2017GOLD OA

Materials discovery and design using machine learning

YLYue LiuTZTianlu ZhaoWJWangwei JuSSSiqi Shi

Shanghai University of Engineering Science · Shanghai University

Indexed incrossrefdoaj

Abstract

The screening of novel materials with good performance and the modelling of quantitative structure-activity relationships (QSARs), among other issues, are hot topics in the field of materials science. Traditional experiments and computational modelling often consume tremendous time and resources and are limited by their experimental conditions and theoretical foundations. Thus, it is imperative to develop a new method of accelerating the discovery and design process for novel materials. Recently, materials discovery and design using machine learning have been receiving increasing attention and have achieved great improvements in both time efficiency and prediction accuracy. In this review, we first outline the…

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1,219
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32.11
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100%
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Authors

4

Topics & keywords

Topics
Keywords
  • Materials science
  • Nanotechnology
  • Systems engineering
  • Construction engineering
  • Engineering
UN Sustainable Development Goals
  • Industry, innovation and infrastructure
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