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Lattice-based Monte Carlo method for telechelic chain molecules

By B. Bozorgui and D. Frenkel


We present a Monte Carlo (MC) scheme that makes it possible to perform efficient simulations of dense\ud systems of self-avoiding polymers on a lattice.We show that the method is particularly useful to simulate dense\ud systems of polymers with functionalized end groups. We compare the efficiency of the scheme with the\ud configurational bias MC method and indicate the regime where the present approach is the method of choice

Topics: Scheikunde
Year: 2007
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