HYBRID MONTE-CARLO SIMULATION OF POLYMER-CHAINS

Authors
Citation
A. Irback, HYBRID MONTE-CARLO SIMULATION OF POLYMER-CHAINS, The Journal of chemical physics, 101(2), 1994, pp. 1661-1667
Citations number
20
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
101
Issue
2
Year of publication
1994
Pages
1661 - 1667
Database
ISI
SICI code
0021-9606(1994)101:2<1661:HMSOP>2.0.ZU;2-F
Abstract
We develop the hybrid Monte Carlo method for simulations of single off -lattice polymer chains. We discuss implementation and choice of simul ation parameters in some detail. The performance of the algorithm is t ested on models for homopolymers with short- or long-range self-repuls ion, using chains with 16 less than or equal to N less than or equal t o 512 monomers. Without excessive fine tuning, we find that the comput ational cost grows as N-2+z' with 0.64<z'<0.84. In addition, we report results for the scaling of the end-to-end distance, r(1N)similar to N -v(1n N)(-alpha).