Efficient generation of self-avoiding, semiflexible rotational isomeric chain ensembles in bulk, in confined geometries, and on surfaces

DOI10.1016/J.CPC.2021.108176OpenAlexW3202259692WikidataQ114192743 ScholiaQ114192743MaRDI QIDQ6162831

Aikaterini A. Galata, Oliver Weismantel, Achim Kröger, Martin Kröger, Morteza H. Sadeghi

Publication date: 16 June 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2021.108176

zbMATH Keywords

simulationpolymerrecursiveenriched sampleshelical chainswormlike chains

Mathematics Subject Classification ID

Quantum theory (81-XX) Statistical mechanics, structure of matter (82-XX)

Cites Work

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• Fast parallel algorithms for short-range molecular dynamics
• Beyond-equilibrium molecular dynamics of a rarefied gas subjected to shear flow
• Helical Wormlike Chains in Polymer Solutions

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