SLayerGen: a Crystal Generative Model for all Space and Layer Groups
This paper introduces SLayerGen, a novel generative model that unifies the creation of both bulk crystals and diperiodic materials (such as 2D monolayers) by enforcing invariance to all space and layer groups through a hybrid architecture of autoregressive lattice sampling and equivariant diffusion, while also providing new datasets and metrics to advance the discovery of these previously underrepresented material systems.