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Machine-learned interatomic potentials (MLIPs) show promise in accuratelydescribing the physical properties of materials, but there is a need for ahigher throughput method of validation. Here, we demonstrate using that MLIPsand molecular dynamics can accurately capture the potential energy landscapeand lattice dynamics that are needed to describe electron thermal diffusescattering. Using SrTiO$_3$ as a test-bed at cryogenic and room temperatures,we compare electron thermal diffuse scattering simulations using differentapproximations to incorporate thermal motion. Only when the simulations arebased on quantum mechanically accurate MLIPs in combination with path-integralmolecular dynamics that include nuclear quantum effects, there is excellentagreement with experiment\end{abstract}

Validation of machine-learned interatomic potentials via temperature-dependent electron thermal diffuse scattering