Neural network strains to confer novel properties on materials

We have developed a methodology for predicting the properties of elastically deformed silicon in a wide range of strains. Screening the large 6D strain space with a tailored neural network as a surrogate model, we have predicted a possibility of the direct bandgap silicon crystal as well as the crystal with the metallic properties. The proposed method paves a new way to fast research in the field of elastic engineering for a wide range of materials. The corresponding article is published in the Proceedings of the National Academy of Sciences.

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