An equivariant graph neural community for the pliability tensors of all seven crystal techniques

Digital Discovery, 2024, 3,869-882
DOI: 10.1039/D3DD00233K, Paper

Open Access

&nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.

Mingjian Wen, Matthew K. Horton, Jason M. Munro, Patrick Huck, Kristin A. Persson
An equivariant graph neural network model enables the rapid and accurate prediction of complete fourth-rank elasticity tensors of inorganic materials, facilitating the discovery of materials with exceptional mechanical properties.
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