give an overview about the JOYCE3.0 possible applications. Various chemical species has been chosen, ranging from simple organic molecules (I, IV, V and VII), to more complicated TMCs (VI), up to long and flexible polymers (II and III). These systems present a rather different chemical structure, going from stiff scaffolds (I and VI) to highly flexible chains and backbones (III, IV and V). Moreover, the resulting QMD-FFs, specifically obtained here for each target, are used to compute a plethora of distinct properties, which include structural, thermodynamic and spectroscopic features, in turn requiring a specific a well-tuned QM description, as reported in Table .