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DeepMind AI tackles one of chemistry’s most valuable techniques

Machine-learning algorithm predicts material properties using electron density.
  1. Davide Castelvecchi
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A team led by scientists at the London-based artificial-intelligence company DeepMind has developed a machine-learning model that suggests a molecule’s characteristics by predicting the distribution of electrons within it. The approach, described in the 10 December issue of Science1, can calculate the properties of some molecules more accurately than existing techniques.

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Nature 600, 371 (2021)

doi: https://doi.org/10.1038/d41586-021-03697-8

References

  1. Kirkpatrick, J. et al. Science 374, 1385–1389 (2021).

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