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Slip-Spring Hybrid Particle-Field Model for Coarse-Graining Branched Polymer...
Detailed description of the extension of the Roberto method (HPF-MD + slip-springs) to branched polymers. -
Mobility of polymer melts in a regular array of carbon nanotubes
Simulation of the diffusion in polymer melts in an array of obstacles (here: carbon nanotubes) using the Roberto method (HPFZ-MD + slip-springs). -
Viscosity calculation with hybrid particle-field molecular dynamics simulations
Extension of the HPF-MD method (as used in Roberto) to calculate shear viscosities: (i) replace original force interpolation by a local-momentum conserving scheme (central...