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Towards understanding structure-property relations in materials with interpretable deep learning

Engineering and Technology

Towards understanding structure-property relations in materials with interpretable deep learning

T. Vu, M. Ha, et al.

This innovative research, conducted by a team of experts, unveils a deep learning architecture that leverages attention mechanisms to predict material properties and decode complex structure-property relationships. The findings reveal how local atomic structures play a pivotal role in determining critical properties, setting a new direction for accelerated material design.

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