The absence of long-range order in amorphous metals, together with the ability to alloy glass-forming elements in non-stoichiometric fractions, enables precise fine-tuning of composition, atomic density, and interatomic separations. By linking the local atomic environment to mechanical, electrical, thermodynamic, and magnetic properties via first-principles calculations and experiments, we can understand these properties at a fundamental level and enable new functionality. This project investigates the electrical and optical behaviour of amorphous metals, focusing on zirconium-based alloys. Recent measurements and calculations of both electrical and optical properties show promise for hydrogen absorption studies: simple optical transmission or reflection experiments may allow determination of hydrogen concentration in thin films—an otherwise difficult task that typically requires neutron scattering or nuclear reaction analysis, which are not readily accessible. We will focus on the vanadium–zirconium system, where most experimental data exist, and determine the plasma frequency as a function of composition, along with the optical conductivity. The plasma frequency is crucial for understanding transport, as it reflects the ratio of carrier density to effective mass at the heart of a Drude-type description. Notably, metallic glasses display anomalous electrical transport: although metallic, their temperature dependence is semiconductor-like. The question arises whether the Drude framework can account for this behaviour. We will use our existing stochastically quenched, ab initio structures. The method generates candidate configurations by the principle of maximally amorphous materials: a randomised supercell relaxes to a local amorphous energy minimum with vanishing residual forces. Ensemble averages over multiple quenched structures, initialised from different random seeds, then capture distributive features such as the total and partial pair-distribution functions and the bond-angle distribution. With these amorphous cells in hand, we will perform a deep dive into the electronic-structure calculations to investigate the materials’ electrical and optical properties. To capture the vibrational aspects of the solid, we will perform ab-initio molecular dynamics on the structures and use snap shots in time of the structure for calculation of the electrical and optical properties.