37 citations · 39 across the 5 of their papers we have counts for
4 papers · 1 filter
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…
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…
MatChat: A Large Language Model and Application Service Platform for Materials Science
Ziyi Chen, Fankai Xie, Meng Wan +5
The prediction of chemical synthesis pathways plays a pivotal role in materials science research. Challenges, such as the complexity of synthesis pathways and the lack of comprehen…
Addressing the Accuracy-Cost Tradeoff in Material Property Prediction: A Teacher-Student Strategy
Dong Zhu, Zhikuang xin, Siming Zheng +2
Deep learning has revolutionized the process of new material discovery, with state-of-the-art models now able to predict material properties based solely on chemical compositions,…