Cite this article:
Kesong Yang. High-throughput design of functional materials using materials genome approachJ. Chin. Phys. B, 2018, 27(12): 128103.
| Kesong Yang. High-throughput design of functional materials using materials genome approachJ. Chin. Phys. B, 2018, 27(12): 128103. |
High-throughput design of functional materials using materials genome approach
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Abstract
High-throughput computational materials design provides one efficient solution to accelerate the discovery and development of functional materials. Its core concept is to build a large quantum materials repository and to search for target materials with desired properties via appropriate materials descriptors in a high-throughput fashion, which shares the same idea with the materials genome approach. This article reviews recent progress of discovering and developing new functional materials using high-throughput computational materials design approach. Emphasis is placed on the rational design of high-throughput screening procedure and the development of appropriate materials descriptors, concentrating on the electronic and magnetic properties of functional materials for various types of industrial applications in nanoelectronics. -
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