Calculating particle pair potentials from fluid-state pair correlations: Iterative ornstein-zernike inversion
Author:
Affiliation:
1. División de Ciencias e Ingenierías, Departamento de Ingeniería Física; University of Guanajuato, Loma del Bosque 103; León 37150 Mexico
Funder
Consejo Nacional de Ciencia y Tecnología
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference44 articles.
1. A uniqueness theorem for fluid pair correlation functions
2. Computer Simulations of Soft Matter: Linking the Scales
3. Deriving effective mesoscale potentials from atomistic simulations
4. Do Inverse Monte Carlo Algorithms Yield Thermodynamically Consistent Interaction Potentials?
5. Derivation of coarse-grained potentials via multistate iterative Boltzmann inversion
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