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Lattice polymers Monte Carlo sampling vs. Rosenbluth chain growth

8 Lattice polymers Monte Carlo sampling vs. Rosenbluth chain growth [Pg.123]

Computer simulations of long polymers and peptides are particularly demanding, which is why these simulations are often carried out in finite, discrete spaces such as on underlying lattices. As mentioned earlier, lattice polymers are typically modeled by self-avoiding [Pg.123]

in principle, no problem if 0 = 0-1-A0 lies outside the interval (4.139), although for bookkeeping reasons it is recommended to adjust 0 by adding or subtracting 2 ir, respectively, if its value exceeds the interval limits. [Pg.123]

Monte Carlo and chain growth methods for molecular simulations [Pg.124]

Example for a simple Monte Carlo move set consisting of end and corner flips, crankshaft moves, and pivot updates on a square lattice. [Pg.124]




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Chain growth Rosenbluth

Chain-Growth

Chain-growth polymers

Lattice growth

Monte Carlo lattice

Monte Carlo sampling

Monte lattice

Monte-Carlo chains

Polymer growth

Polymer samples

Rosenbluth sampling

VS) growth

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