Molecular dynamics (MD) simulations were performed as described in our previous work. Briefly, to examine the behavior of PDI-tetraPS and PDI-tetraPMMA oligomers in solution, each model molecule was individually solvated in a 60 × 60 × 60 Å 3 box with 361 DMF molecules and 6863 water molecules using PACKMOL to produce a DMF/H2O 5/95 solution. MD simulations were carried out using the GROMACS 2019.3 software, and the CHARMM force field was applied to all molecules. Force field parameters for DMF, PDI-tetraSt8, and PDI-tetraMMA8 were obtained from the CGenFF version 2.2.0 program and CGenFF force field 64 version 4.1. Pairwise electrostatic interactions were cut off at 12 Å, with a particle mesh Ewald (PME) treatment of long-range interactions, and van der Waals interactions were reduced to zero between 10 and 12 Å via a switching function. Covalent bonds involving hydrogen were constrained using the LINCS algorithm. Simulations were run in the isothermal-isobaric (NPT) ensemble, with the Nosé-Hoover thermostat and Parrinello-Rahman barostat used to maintain a constant temperature of 300 K and pressure at 1.0 × 10 5 Pa, respectively.