A GLOBAL-UPDATE SIMULATION METHOD FOR POLYMER SYSTEMS

We describe a hybrid Monte Carlo algorithm, combining molecular dynami cs with the Monte Carlo method, applied to the simulation of polymer s ystems. It is shown that observables are independent of the discretiza tion error, and the performance, i. e., autocorrelation times of obser vables, is analyzed. For a dense system representing a polyethylene me lt, we present data for the pair distribution function and the mean sq uare displacement of a chain in the bulk. We also investigate the poss ibility of using a scaled Hamiltonian in the algorithm.