The Journal of Chemical Physics · 2010 · 37 citations · 27 references
Natural SciencesPhysicsComputational PhysicsFluid DynamicsMathematical PhysicsCoarse-grained ModelingMonte Carlo MethodsMonte Carlo SimulationParticle MethodsParticle-based SimulationCoarse-grained PotentialsCoarse-grained SimulationCoarse-grainingDiscretizationEffective Interaction PotentialsRenormalization GroupRenormalization Group TheorySystematic Coarse-graining
We present a formalism for the systematic numerical coarse-graining of field-theoretic models of fluids that draws upon techniques from both the Monte Carlo renormalization group and particle-based coarse-graining literature. A force-matching technique initially developed for coarse-graining particle-based interaction potentials is adapted to calculate renormalized field-theoretic coupling coefficients in a complex-valued field theory, and a related method is introduced for coarse-graining field-theoretic operators. The viability of this methodology is demonstrated by coarse-graining a field-theoretic model of a Gaussian-core fluid and thereby reducing lattice discretization errors.
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