Our method of building an atomistic model of a Q I phase closely follows the experimental procedure. In this approach, the Q I structure is first formed with glycerol solvent to form the hydrophilic nanopores. Q I phases occur with both glycerol and water with slightly different phase diagrams, but glycerol is preferred over water at this stage of the process due to its lower volatility. A radical photoinitiator is also added in the initial blend that allows the monomers to cross-link upon UV irradiation. The glycerol in the pores is then flushed from the cross-linked membrane and replaced with water for the final membrane. The basic workflow of our study therefore involves building the initial structure, minimizing and equilibrating the structure using molecular dynamics (MD) simulations, adding solvent and solutes, cross-linking the monomers, analyzing the equilibrated simulations for structural details, and quantifying the dynamics of solvent and added solutes. We use Python scripts for building the initial system, cross-linking the monomers, managing the MD runs, and analyzing the simulation results. Scripts implementing these steps are available online at . We perform both the CG and the all-atom MD simulations using GROMACS 2020.5. The documentation for all simulations along with necessary scripts, input files, topologies, and force field parameters are available in the GitHub repository.