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迈向材料信息学的黄金时代:透视与机遇

Toward the Golden Age of Materials Informatics: Perspective and Opportunities.

机构信息

Department of Chemistry, Hokkaido University, North 10, West 8, Sapporo 060-0810, Japan.

出版信息

J Phys Chem Lett. 2023 May 25;14(20):4726-4733. doi: 10.1021/acs.jpclett.3c00648. Epub 2023 May 12.

Abstract

Materials informatics is reaching the transition point and is evolving from its early stages of adoption and development and moving toward its golden age. Here, the transformation of the early stage of materials informatics toward the next level of materials informatics is explored. In particular, it has become crucial to be able to manipulate materials synthesis data, materials properties data, and materials characterization data. Through the use of ontology, material design and understanding can be carried out simultaneously in a whitebox manner. Here, a perspective on the ultimate goal of materials informatics along with potential key components is discussed.

摘要

材料信息学正处于转型阶段,已经从早期的采用和发展阶段逐渐发展,进入了它的黄金时代。在这里,我们探讨了材料信息学从早期阶段向更高阶段的转变。特别是,能够处理材料合成数据、材料性能数据和材料特性数据已经变得至关重要。通过使用本体,我们可以以白盒的方式同时进行材料设计和理解。在这里,我们讨论了材料信息学的最终目标以及潜在的关键组成部分。

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