Dec 9, 2021
Simulating matter on the nanoscale with AI
Posted by Quinn Sena in categories: chemistry, mapping, nanotechnology, robotics/AI
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In a paper published today in the scientific journal Science, DeepMind demonstrates how neural networks can be used to describe electron interactions in chemical systems more accurately than existing methods.
Density Functional Theory, established in the 1960s, describes the mapping between electron density and interaction energy. For more than 50 years, the exact nature of mapping between electron density and interaction energyâthe so-called density functionalâhas remained unknown. In a significant advancement for the field, DeepMind has shown that neural networks can be used to build a more accurate map of the density and interaction between electrons than was previously attainable.
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