Atomistic simulations of butanol and polyethylene glycol (PEG) at ambient conditions were selected as reference systems for benchmarking the ∆-models on molecular and macromolecular liquids, respectively. Liquid butanol was previously used to investigate the mapping dependence of CG simulations with IBI. For comparison, four distinct butanol mappings were parameterized for each model as part of the present study (Fig. ). The PEG benchmark consisted of 7-mers coarse-grained with four CH2-O-CH2 beads and two terminal beads of OH-CH2-O-CH2-CH2 (Fig. ). All MD simulations were performed using LAMMPS. Specific implementation details for the target atomistic simulations are reported in Section S1 of the Supporting Information.