The quality of molecular simulation predictions is based on the quality of the force field, a set of mathematical equations that describe the interactions between atoms within a molecule and between different molecules. A well-parameterized force field can ideally predict the macroscopic properties of a material from its microscopic structure through molecular simulations. In the context of polydimethylsiloxane (PDMS), several force fields have been developed, each with its own merits and limitations. One of the first attempts to model PDMS using MD simulations was made by Sok et al. who developed a Class I force field for PDMS systems to study the transport of small molecules across a PDMS membrane. Using relatively simple functional forms for the force field, their simulation predictions yielded good agreement of the diffusion coefficient compared to experimental data, while significant discrepancies in the solubility coefficient.