In summary, in this study, our primary objective is to elucidate the structure of our system as the ChCl:LA ratio increases. For that, we will initially address and improve the limitations found in the CL&Pol force field for ChCl-based materials, and assess its performance at the short-range as compared to DFT-based molecular dynamics simulations (AIMD). While AIMD calculations provide accurate short-range structural information, they are constrained to small systems and short simulation times. Therefore, we will initially focus on the 1:1 ratio. Subsequently, our investigation will be extended to a range of ChCl:LA ratios by means of classical molecular dynamics (CMD) simulations. Our overarching goal is to provide insights into the significant variations in experimental performance with increasing LA excess.