2 papers
cond-mat.mtrl-sci2025
Siamese Foundation Models for Crystal Structure Prediction
Liming Wu, Wenbing Huang, Rui Jiao +8
Predicting crystal structures from chemical compositions is a fundamental challenge in materials discovery, complicated by complex 3D geometries that distinguish it from fields lik…
cs.LG2024
Spatiotemporal Graph Learning with Direct Volumetric Information Passing and Feature Enhancement
Yuan Mi, Qi Wang, Xueqin Hu +4
Data-driven learning of physical systems has kindled significant attention, where many neural models have been developed. In particular, mesh-based graph neural networks (GNNs) hav…