"Algorithmic Breakthrough Paves Way for Sustainable Technologies with Atomic Blueprint"

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Source: SciTechDaily
"Algorithmic Breakthrough Paves Way for Sustainable Technologies with Atomic Blueprint"
Photo: SciTechDaily
TL;DR Summary

Researchers at the University of Liverpool have developed a mathematical algorithm that can predict the structure of any material based solely on knowledge of its constituent atoms. The algorithm evaluates entire sets of possible structures simultaneously, accelerating the identification of the correct solution. This breakthrough has the potential to revolutionize the design of new materials for sustainable technologies, such as batteries, solar absorbers, and catalysts. The algorithm was demonstrated on quantum computers, further enhancing its computational capabilities. The ability to predict crystal structures with certainty opens up opportunities to synthesize materials using widely available elements and replace those based on scarce or toxic elements, ultimately meeting the challenges of a sustainable society.

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