The interiors of ice giant planets such as Uranus and Neptune are dominated by water-rich molecular mixtures at high temperatures and pressures. Current interior models aiming at modeling the planets’ composition in agreement with observations assume a three-layer structure and simplify the complex mixture by using water as surrogate. The internship offers the possibility to learn the foundations of the atomistic simulation technique we apply in our research – density functional theory molecular dynamics. We will compute thermodynamic, structural, and transport properties of C-H-O mixtures using high-performance computing clusters. At the same time, you will gain some insights on planetary modeling and high-pressure experiments (e.g. at LULI 2000).