XtalPaint borrows image inpainting to find missing crystal atoms
Researchers at Switzerland's Paul Scherrer Institute just built XtalPaint, an open-source model that reconstructs missing atoms in crystal lattices with a 97% success rate. Adapted from Microsoft's MatterGen, it treats crystal gaps like erased parts of an image, applying diffusion noise only to unknown spots while using known atoms as anchors. Why it matters: X-rays often miss light elements like hydrogen, locking thousands of promising compounds out of computer simulations; this tool could unlock them for battery and clean-energy research.