AMShortcut: An Inference- and Training-Efficient Inverse Design Model for Amorphous Materials

ArXi:2603.29812v1 Announce Type: new Amorphous materials are solids that lack long-range atomic order but possess complex short- and medium-range order. Unlike crystalline materials that can be described by unit cells containing few up to hundreds of atoms, amorphous materials require larger simulation cells with at least hundreds or often thousands of atoms. Inverse design of amorphous materials with probabilistic generative models aims to generate the atomic positions and elements of amorphous materials given a set of desired properties.