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Scientists use electronic structure to steer AI toward new materials

Original: Using electronic structure to guide AI in designing new materials

Researchers report a method that uses electronic structure calculations to guide artificial intelligence in designing new materials. By grounding machine learning in the physics of how electrons behave in a material, the approach aims to make AI-driven discovery more accurate and reliable, potentially speeding up the development of new compounds for technology and industry.

Why now: AI-driven materials discovery is a fast-growing research area attracting broad scientific and industry interest

EurekAlert!artificial intelligenceelectronic structure

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