New advancements in technology frequently necessitate the development of novel materials – and thanks to supercomputers and advanced simulations, researchers can bypass the time-consuming and often inefficient process of trial-and-error.

The Materials Project, an open-access database founded at the Department of Energy’s Lawrence Berkeley National Laboratory (Berkeley Lab) in 2011, computes the properties of both known and predicted materials. Researchers can focus on promising materials for future technologies – think lighter alloys that improve fuel economy in cars, more efficient solar cells to boost renewable energy, or faster transistors for the next generation of computers. 

Now, Google DeepMind – Google’s artificial intelligence lab – is contributing nearly 400,000 new compounds to the Materials Project, expanding the amount of information researchers can draw upon. The dataset includes how the atoms of a material are arranged (the crystal structure) and how stable it is (formation energy).

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