Molecular Simulation Via Connectivity-al
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Tim Mulder; Vagelis A. Harmandaris; Alexey V. Lyulin; Nico F. A. van der Vegt; M
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Article
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2008
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John Wiley and Sons
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English
⚖ 563 KB
## Abstract Well‐equilibrated atactic‐polystyrene (aPS) samples are obtained through the end‐bridging Monte Carlo (EBMC) algorithm. A coarse‐grained (CG) description of aPS is used; monomers are represented by two CG beads. The algorithm produces correct polymer conformations on all length scales,