The formulation of a drug aims at transforming the active ingredient into a form suitable for administration, thus allowing the therapeutic action to be carried out. Specifically, the active ingredient is often added to various excipients which have the purpose of preserving its activity during the production and storage phases. The choice of excipients is a very complex problem and is closely linked to the chemical-physical properties of the active principle. In the context of the PhD in Chemical Engineering, the problem of pharmaceutical formulation is tackled with unconventional methods which involve the combination of theoretical modelling studies on a molecular scale and experimental campaigns. This approach results in a detailed description of the drug-excipient interactions and exploit it for the development of the most appropriate formulation for a specific product or class of products.