arXiv:2608. 07401v1 Announce Type: cross Abstract: The search for new crystalline materials spans an enormous compositional and structural space.
Summary generated by The Flow from the publisher's feed. The full article lives at arXiv Machine Learning.
arXiv:2608. 13457v1 Announce Type: new Abstract: Generating crystals has recently attracted significant interest due to their broad applications in materials science.
arXiv:2602. 17176v4 Announce Type: replace-cross Abstract: Crystal structure prediction (CSP), which aims to predict the 3D atomic arrangement of a crystal from its composition, is central to materials discovery and mechanistic understanding.
arXiv:2604. 13354v2 Announce Type: replace-cross Abstract: The discovery of inorganic crystal structures with targeted properties is a significant challenge in materials science.
arXiv:2606. 14003v1 Announce Type: cross Abstract: Determining the crystal structure of a material from its powder X-ray diffraction (PXRD) pattern is a central challenge in materials science.
arXiv:2509. 15908v3 Announce Type: replace-cross Abstract: Nanoporous materials hold promise for diverse sustainable applications, yet their vast chemical space poses challenges for efficient design.
arXiv:2604. 02270v2 Announce Type: replace-cross Abstract: Generative models for crystalline materials often rely on equivariant graph neural networks, which capture geometric structure well but are costly to train and slow to sample.