In order to achieve UN sustainability goals, a transition to a sustainable energy system is required. Today, the most promising energy storage technology to enable the sustainable use of clean and renewable energy sources is considered to be the Li-ion batteries (LIB)s. All-solid state LIBs offer a promising solution. The challenge is however that solid-state electrolytes have poor ionic conductivity. This poor ionic conductivity severely constrains the LIB’s performance. Evidence suggests that certain Li- and Na-based glasses may display high conductivity, comparable to liquid electrolytes. The primary objective of the current research program is to develop a novel multi-scale approach that combines a state-of-art ab-initio method to model the amorphous structure of glasses, the stochastic quenching, together with ab-initio molecular dynamics to study ionic transport mechanisms in glasses. By using this powerful combination of methods we will identify those features of the amorphous structure that enhance the performance of a glassy medium, which is crucial to lay the basis for a sustainable development of the next generation of solid state Li-ion batteries. The method will use provide with a reliable way to overcome the challenges to characterize glasses. Investigations on the interface of the electrolyte and the electrode will also be addressed. Additionally, the project also includes ab initio studies of photovoltaic technologies, solar cells. Here, we will explore alternatives to perovskite solar cells, focusing on sustainable two-dimensional (2D) materials such silicon carbide “siligraphene”. An outcome of this research is to open up the potential of Na-based batteries, which provides with a solution to the availability and extraction of Li. Sustainable materials for sollar cells will be extensively investigated. Finally, this work opens a new avenue of research on amorphous materials for solid-state ionics.