BDIP-Net: Dual-Interaction Graph Learning for Property Prediction of Bilayer Materials

Excerpt

arXiv:2608.14640v1 Announce Type: cross Abstract: Stacked bilayer materials exhibit rich stacking-dependent properties driven by the interplay between strong intra-layer bonding and weak inter-layer van der Waals interactions. The computational discovery of such materials is challenging because accurate structure generation typically relies on expensive DFT-based optimization, while existing machine-learning models often fail to explicitly distinguish different interaction types during property