Universal Fine-Grained Symmetry Inference and Enforcement for Rigorous Crystal Structure Prediction

arXiv:2602.17176v1 Announce Type: cross Abstract: Crystal structure prediction (CSP), which aims to predict the three-dimensional atomic arrangement of a crystal from its composition, is central to materials discovery and mechanistic understanding. Existing deep learning model...

🔗 Read more: https://arxiv.org/abs/2602.17176

#News #Software #Materials #Engineering #Chemistry #Energy #Academic