Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 132, Issue 3, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3289723
Keywords
liquid theory; Monte Carlo methods; polymer melts; renormalisation
Funding
- NDSEG
- NSF [DMR09-04499, DMR05-20415]
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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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