most citedTransformer-Enhanced Variational Autoencoder for Crystal Structure Prediction

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cond-mat.mtrl-sci2025★ 2 cited

Transformer-Enhanced Variational Autoencoder for Crystal Structure Prediction

Ziyi Chen, Yang Yuan, Siming Zheng +4

Crystal structure forms the foundation for understanding the physical and chemical properties of materials. Generative models have emerged as a new paradigm in crystal structure pr…

cond-mat.mtrl-sci2025

CrySPAI: A new Crystal Structure Prediction Software Based on Artificial Intelligence

Zongguo Wang, Ziyi Chen, Yang Yuan +1

Crystal structure predictions based on the combination of first-principles calculations and machine learning have achieved significant success in materials science. However, most o…