Hybrid Monte Carlo simulation of polymer chains

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Abstract

We develop the hybrid Monte Carlo method for simulations of single off-lattice polymer chains. We discuss implementation and choice of simulation parameters in some detail. The performance of the algorithm is tested on models for homopolymers with short- or long-range self-repulsion, using chains with 16≤N≤512 monomers. Without excessive fine tuning, we find that the computational cost grows as N2+z′ with 0.641N∼Nν(ln N).

Detaljer

Författare
Enheter & grupper
Originalspråkengelska
Sidor (från-till)1661-1667
Antal sidor7
TidskriftJournal of Chemical Physics
Volym101
Utgivningsnummer2
StatusPublished - 1994
PublikationskategoriForskning
Peer review utfördJa