Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

被引：9237

作者：

Jain, Anubhav ^{[1
]}

Shyue Ping Ong ^{[2
]}

Hautier, Geoffroy ^{[3
]}

Chen, Wei ^{[1
]}

Richards, William Davidson ^{[2
]}

Dacek, Stephen ^{[2
]}

Cholia, Shreyas ^{[1
]}

Gunter, Dan ^{[1
]}

Skinner, David ^{[1
]}

Ceder, Gerbrand ^{[2
]}

Persson, Kristin A. ^{[1
]}

机构：

[1] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA

[2] MIT, Cambridge, MA 02139 USA

[3] Catholic Univ Louvain, B-1348 Louvain, Belgium

来源：

APL MATERIALS | 2013年 / 1卷 / 01期

关键词：

DENSITY-FUNCTIONAL THEORY; CRYSTAL-STRUCTURE PREDICTION; TOTAL-ENERGY CALCULATIONS; PRINCIPLES; DESIGN; STABILITY; CATHODES; DATABASE; SEARCH; FAMILY;

D O I：

10.1063/1.4812323

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Accelerating the discovery of advanced materials is essential for human welfare and sustainable, clean energy. In this paper, we introduce the Materials Project (www.materialsproject.org), a core program of the Materials Genome Initiative that uses high-throughput computing to uncover the properties of all known inorganic materials. This open dataset can be accessed through multiple channels for both interactive exploration and data mining. The Materials Project also seeks to create open-source platforms for developing robust, sophisticated materials analyses. Future efforts will enable users to perform "rapid-prototyping" of new materials in silico, and provide researchers with new avenues for cost-effective, data-driven materials design. (C) 2013 Author(s).

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