Characteristics of parameter reduction in multiscale simulations of polymer chainsx

The development of the wavelet-accelerated Monte Carlo (WAMC) framework for the study of molecular systems with self-similar behaviors such as lattice models and polymers was discussed. The basic principle underlying the WAMC framework was that behavior of small fragments of a much larger simulation could be used to construct the coarse-grained degrees of freedom necessary to simulate the whole system. Monte Carlo simulations allowed to establish the existence of numerical scaling laws for the overlap probabilities to determine the intra- and intermolecular potentials as a function of the number of repeat units length. WMAC algorithm obtained results more efficiently for the coarse-grained resolution.