Combined molecular algorithms for the generation, equilibration and topological analysis of entangled polymers: Methodology and performance

International Journal of Molecular Sciences

Volumn 10, Issue 11, 2009, Pages 5054-5089

  Karayiannis, Nikos Ch ^a   Kröger, Martin ^b  

^a UNIVERSIDAD POLITÉCNICA DE MADRID   (Spain)

^b ETH ZURICH   (Switzerland)

Author keywords

Entanglement; Hard sphere; Knot; Melt; Monte Carlo; Polydispersity; Polymer; Primitive path; Random packing; Simulation; System size effect

Indexed keywords

POLYETHYLENE; POLYMER;

ALGORITHM; CONTROLLED STUDY; DENSITY; METHODOLOGY; MOLECULAR WEIGHT; MONTE CARLO METHOD; PERFORMANCE; REVIEW; SIMULATION; STRUCTURE ANALYSIS;

ENTANGLEMENT; HARD-SPHERE; KNOT; MELT; MONTE CARLO; POLYDISPERSITY; POLYMER; PRIMITIVE PATH; RANDOM PACKING; SIMULATION; SYSTEM SIZE EFFECT;

ALGORITHMS; MODELS, MOLECULAR; MONTE CARLO METHOD; POLYMERS;

EID: 71649105604     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms10115054     Document Type: Review

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