The wormhole move: A new algorithm for polymer simulations

Details The wormhole move: A new algorithm for polymer simulations The wormhole move: A new algorithm for polymer simulations

2001-11-06

arxiv.org/abs/cond-mat/0111087v1

J. Chem. Phys. 116 (2002), p. 1783-1787

Physics

Condensed Matter

Soft Condensed Matter

8 pages, 6 figures

Scientific paper

10.1063/1.1433500

A new Monte Carlo move for polymer simulations is presented. The ``wormhole'' move is build out of reptation steps and allows a polymer to reptate through a hole in space; it is able to completely displace a polymer in time N^2 (with N the polymer length) even at high density. This move can be used in a similar way to configurational bias, in particular it allows grand canonical moves, it is applicable to copolymers and can be extended to branched polymers. The main advantage is speed since it is exponentially faster in N than configurational bias, but is also easier to program.

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