An equivariant graph neural network for the elasticity tensors of all seven crystal systems

作者：Mingjian Wen, Matthew K. Horton, Jason M. Munro, Patrick Huck, Kristin A. Persson · 发表于：Digital Discovery · 年份：2024 · DOI：10.1039/d3dd00233k · 被引用次数：33 · 研究领域：Machine Learning in Materials Science、X-ray Diffraction in Crystallography、Material Properties and Failure Mechanisms

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.