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Ab initioDOE
From the About page: “The Materials Project is a multi-institution, multi-national effort to compute the properties of all inorganic materials and provide the data and associated analysis algorithms for every materials researcher free of charge. The ultimate goal of the initiative is to drastically reduce the time needed to invent new materials by focusing costly and time-consuming experiments on compounds that show the most promise computationally.”
Major site upgrade in Dec 2021:
https://medium.com/materials-project/announcing-a-new-materials-project-2628ded751c
https://docs.materialsproject.org/
2013 article
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation