Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William D. Richards, Stephen Dacek, Shreyas Cholia, Dan Gunter 等 11 位
Lawrence Berkeley National Laboratory Massachusetts Institute of Technology UCLouvain
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摘要与影响
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.
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材料 / 化学Machine Learning in Materials Science
Inorganic Chemistry and Materials · X-ray Diffraction in Crystallography
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