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Journal Article

The wormhole move: A new algorithm for polymer simulations


Houdayer,  J.
MPI for Polymer Research, Max Planck Society;

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Houdayer, J. (2002). The wormhole move: A new algorithm for polymer simulations. Journal of Chemical Physics, 116(5), 1783-1787.

Cite as: http://hdl.handle.net/11858/00-001M-0000-000F-6695-8
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 as 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. (C) 2002 American Institute of Physics.