In September 2020, we launched the Materials Modelling and Simulation (MSM) Group at the Department of Applied Physics, Eindhoven University of Technology, the Netherlands. This group uses high-performance computers to simulate membranes and porous materials that can revolutionize renewable energy and green technology. We develop and apply both quantum and classical methods, jointly encompassing a comprehensive multiscale approach to study these systems from the atomistic to the nanoscale. We use our own methodology, force fields and software. The RASPA software is a classical general-purpose simulation package especially suited to study adsorption and diffusion in nanoporous systems. In addition, we have recently implemented iRASPA which is an advanced visualisation package. These software package are optimised to be fast and accurate, allowing a quick evaluation of the structures of storage and/or separation devices