Molecular dynamics for polymeric fluids using discontinuous potentials

DOI10.1006/jcph.1996.5510zbMath0882.76009OpenAlexW2016881055MaRDI QIDQ1360435

Carol K. Hall, Steven W. Smith, Benny D. Freeman

Publication date: 17 July 1997

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1006/jcph.1996.5510

zbMATH Keywords

optimizationentangled chainsheteronuclear chain mixturesmultiple-event schedulingsingle-event schedulingtethered chains

Mathematics Subject Classification ID

Related Items (7)

Time integrators based on approximate discontinuous Hamiltonians ⋮ Direct simulations of aggregates in homogeneous isotropic turbulence ⋮ Molecular dynamics simulation based size and rate dependent constitutive model of polystyrene thin films ⋮ Event-driven molecular dynamics in parallel. ⋮ Stochastic event-driven molecular dynamics ⋮ A multiple-heaps algorithm for parallel simulation of collision systems ⋮ Spontaneous formation of annular structures observed in molecular dynamics simulations of polyglutamine peptides

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