Materials databases: the need for open, interoperable databases with standardized data and rich metadata

07/05/2019

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by   François-Xavier Coudert, et al.

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Driven by the recent rapid increase in the number of materials databases published (open and commercial), I discuss here some perspectives on the growing need for standardized, interoperable, open databases. The field of computational materials discovery is quickly expanding, and recent advances in data mining, high throughput screening, and machine learning highlight the potential of open databases.