SLICES-PLUS: A crystal representation leveraging spatial symmetry

In recent years, the realm of crystalline materials has witnessed a surge in the development of generative models, predominantly aimed at the inverse design of crystals with tailored physical properties. However, spatial symmetry, which serves as a significant inductive bias, is often not optimally...

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Bibliographic Details
Main Authors: Baoning Wang, Zhiyuan Xu, Zhiyu Han, Qiwen Nie, Xi Chen, Hang Xiao, Gang Yan
Format: Article
Language:English
Published: Elsevier 2025-05-01
Series:Materials & Design
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S026412752500276X
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