In the contest of condensed-matter physics and chemistry, light nuclei, mainly hydrogen, exhibit the so called Nuclear Quantum Effects (NQEs), such as zero-point energy motion and tunneling, due to their intrinsic quantum delocalization. NQEs have a large impact on the structure and the dynamics of materials. Any approximated method that treats light nuclei as classical objects cannot reproduce correctly their physical properties. Real application of this problem are, for example, solid fuel cells, which are relevant for energy harvesting. The most used approach to study the NQEs is the Feynman’s Path Integral (PI) formalism, which conserves the concept of trajectories in the quantum picture, hence the use of Molecular Dynamics simulation techniques, such as Ring Polymer Molecular Dynamics.