Towards End-to-End Structure Solutions from Information-Compromised Diffraction Data via Generative Deep Learning

G Guo, J Goldfeder, L Lan, A Ray, AH Yang… - arxiv preprint arxiv …, 2023 - arxiv.org
The revolution in materials in the past century was built on a knowledge of the atomic
arrangements and the structure-property relationship. The sine qua non for obtaining …

Diffusion Models Are Promising for Ab Initio Structure Solutions from Nanocrystalline Powder Diffraction Data

G Guo, T Saidi, M Terban, SJL Billinge… - arxiv preprint arxiv …, 2024 - arxiv.org
A major challenge in materials science is the determination of the structure of nanometer
sized objects. Here we present a novel approach that uses a generative machine learning …