Scientists may soon stop hunting for new materials—and start designing them to order. For the first time, Northwestern University scientists have demonstrated that megalibraries—tools that dramatically accelerate materials discovery—can do more than uncover promising new materials. They can also help scientists intentionally engineer those new materials with specific properties.

In a new study published in the journal Science Advances, the team challenged the megalibrary platform to search through thousands of chemical combinations to pinpoint a promising piezoelectric candidate, a material that generates electricity when pressed, bent or squeezed. Then, the researchers used the platform to deliberately design a piezoelectric material that operated at a specific temperature. The platform was not only successful but also incredibly fast, enabling the design of a promising candidate material within hours.

This advance points toward a future where scientists can move beyond the traditionally slow trial-and-error approach to rapidly designing, synthesizing and testing materials with tailored properties. Just as importantly, the platform can generate the vast, high-quality datasets needed to train artificial intelligence (AI) systems to help discover the next generation of materials.

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