Deciphering diffuse scattering with machine learning and the equivariant foundation model: the case of molten FeO.

Bridging the gap between diffuse x-ray or neutron scattering measurements and predicted structures derived from atom-atom pair potentials in disordered materials, has been a longstanding challenge in condensed matter physics. This perspective gives a brief overview of the traditional approaches employed over the past several decades. Namely, the use of approximate interatomic pair potentials that relate three-dimensional structural models to the measured structure factor and its' associated pair distribution function.