Addressing the Folding of Intermolecular Springs in Particle Simulations: Fixed Image Convention

Mesoscopic simulations of long polymer chains and soft matter systems are conducted routinely in the literature in order to assess the long-lived relaxation processes manifested in these systems. Coarse-grained chains are, however, prone to unphysical intercrossing due to their inherent softness. Th...

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Bibliographic Details
Main Authors: Aristotelis P. Sgouros, Doros N. Theodorou
Format: Article
Language:English
Published: MDPI AG 2023-05-01
Series:Computation
Subjects:
Online Access:https://www.mdpi.com/2079-3197/11/6/106