title: Efficient field-theoretic simulation of polymer solutions.
abstract: We present several developments that facilitate the efficient field-theoretic simulation of polymers by complex Langevin sampling. A regularization scheme using finite Gaussian excluded volume interactions is used to derive a polymer solution model that appears free of ultraviolet divergences and hence is well-suited for lattice-discretized field theoretic simulation. We show that such models can exhibit ultraviolet sensitivity, a numerical pathology that dramatically increases sampling error in the continuum lattice limit, and further show that this pathology can be eliminated by appropriate model reformulation by variable transformation. We present an exponential time differencing algorithm for integrating complex Langevin equations for field theoretic simulation, and show that the algorithm exhibits excellent accuracy and stability properties for our regularized polymer model. These developments collectively enable substantially more efficient field-theoretic simulation of polymers, and illustrate the importance of simultaneously addressing analytical and numerical pathologies when implementing such computations.
authors.affiliation: Department of Chemical Engineering, University of California, Santa Barbara, California 93106, USA.
authors.forename: Michael C
authors.initials: MC
authors.lastname: Villet
authors.affiliation: Department of Chemical Engineering, University of California, Santa Barbara, California 93106, USA.
authors.forename: Glenn H
authors.initials: GH
authors.lastname: Fredrickson