Anders Irbäck Hybrid Monte Carlo simulation of polymer chains Journal of Chemical Physics 101, 1661-1667 (1994) Abstract: We develop the hybrid Monte Carlo method for simulations of single off-lattice polymer chains. We discuss implementation and choice of simulation parameters in some detail. The performance of the algorithm is tested on models for homopolymers with short- or long-range self-repulsion, using chains with 16<=N<=512 monomers. Without excessive fine tuning, we find that the computational 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} ~ N^{nu}(ln N)^{alpha}. LU TP 93-20 |