Improving SLICES crystal representation through CHGNet integration and parameter tuning

In the rapidly evolving field of materials science, the inverse design of crystals has become increasingly significant with the widespread adoption of generative models. However, current crystal representation methods face persistent challenges in maintaining both invertibility and invariance. To br...

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Bibliographic Details
Main Authors: Bizhu Zhang, Kedeng Wu, Chang Zhang, Hang Xiao, Liangliang Zhu
Format: Article
Language:English
Published: AIP Publishing LLC 2025-05-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/5.0269758
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