Variational collision integrator for polymer chains
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Publication:419687
DOI10.1016/j.jcp.2012.01.017zbMath1245.82089MaRDI QIDQ419687
Sigrid Leyendecker, Michael Koch, Carsten Hartmann
Publication date: 18 May 2012
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.jcp.2012.01.017
holonomic constraints; event-driven algorithm; collisions; variational integrators; polymer dynamics; chain of beads; discrete null space method
82D60: Statistical mechanics of polymers
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