29 citations · 29 across the 5 of their papers we have counts for
4 papers · 1 filter
Composition and Resolution Dependence of Effective Coarse-Graining Potentials in Multi-Resolution Simulations
Mohammadhasan Dinpajooh, Marina G. Guenza
Given that the physical properties of polymeric liquids extend on a wide range of lengthscales, it is computationally convenient to represent them by coarse-grained (CG) descriptio…
Coarse-Graining Simulation Approaches for Polymer Melts: Range of Potential and Computational Efficiency
Mohammadhasan Dinpajooh, Marina G. Guenza
The integral equation coarse-graining (IECG) approach is a promising high-level coarse-graining (CG) method for polymer melts, with variable resolution from soft spheres to multi C…
Microscopic Theory for the Dynamics of Unentangled and Entangled Polymer Melts
M. G. Guenza
The Langevin Equation for cooperative dynamics represents the dynamics of polymer melts with chains of increasing degree of polymerization, covering the full range of behavior from…
Multiscale Modeling of Coarse-Grained Macromolecular Liquids
J. McCarty, I. Y. Lyubimov, M. G. Guenza
A first-principle multiscale modeling approach is presented, which is derived from the solution of the Ornstein-Zernike equation for the coarse-grained representation of polymer li…