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Energy renormalization for coarse-graining polymers having different segmental structures
2019
Science Advances
Multiscale coarse-grained (CG) modeling of soft materials, such as polymers, is currently an art form because CG models normally have significantly altered dynamics and thermodynamic properties compared to their atomistic counterparts. We address this problem by exploiting concepts derived from the generalized entropy theory (GET), emphasizing the central role of configurational entropy sc in the dynamics of complex fluids. Our energy renormalization (ER) method involves varying the cohesive
doi:10.1126/sciadv.aav4683
fatcat:dv7sqoedpndqvhbrgj7fzoa5fy