References

Chandler, D., Andersen, H. C. (1972). Optimized Cluster Expansions for Classical Fluids. II. Theory of Molecular Liquids. J. Chem. Phys., 57 (5), 1930–1937. https://doi.org/10.1063/1.1678513

Clark, A. J., Guenza, M. G. (2010). Mapping of Polymer Melts onto Liquids of Soft-Colloidal Chains.  J. Chem. Phys., 132, 044902.

Clark, A. J., McCarty, J., Guenza, M. G. (2013). Effective Potentials for Representing Polymers in Melts as Chains of Interacting Soft Particles. J. Chem. Phys., 139, 124906.

Clark, A. J., McCarty, J., Lyubimov, I. Y., Guenza, M. G. (2012) Thermodynamic Consistency in Variable-Level Coarse Graining of Polymeric Liquids. Physical Review Letters, 109 (16). https://doi.org/10.1103/PhysRevLett.109.168301

Dinpajooh, M. & Guenza, M. G. (May 2017). Thermodynamic Consistency in the Structure-Based Integral Equation Coarse-Grained Method. Polymer, 117: 282–286. https://doi.org/10.1016/j.polymer.2017.04.025

Dinpajooh, M., Guenza, M. G. (2018). Coarse-Graining Simulation Approaches for Polymer Melts: The Effect of Potential Range on Computational Efficiency. Soft Matter, 14, 2018, 7126–7144. https://doi.org/10.1039/C8SM00868J

Dinpajooh, M., Guenza, M. G. (2018). On the Density Dependence of the Integral Equation Coarse-Graining Effective Potential.  J. Phys. Chem B, 122, 3426–3440. https://doi.org/10.1021/acs.jpcb.7b10494

Guenza, M. G., Dinpajooh, M., McCarty, J., Lyubimov, I. Y. (2018). Accuracy, Transferability, and Efficiency of Coarse-Grained Models of Molecular Liquids. J. Phys. Chem. B, 122 (45), 10257–10278. https://doi.org/10.1021/acs.jpcb.8b06687

Hansen, J. P., McDonald, I. R. (2003). Theory of Simple Liquids. Academic Press, Amsterdam.

Lyubimov I. Y. & Guenza, M.G. (March 2013). Theoretical Reconstruction of Realistic Dynamics of Highly Coarse-Grained Cis -1,4-Polybutadiene Melts.  J. Chem. Phys., 138, no. 12: 12A546-13. https://doi.org/10.1063/1.4792367.

Lyubimov I. Y. & Guenza, M.G. (September 2011). First-Principle Approach to Rescale the Dynamics of Simulated Coarse-Grained Macromolecular Liquids. Physical Review E, 84, no. 3: 031801-19. https://doi.org/10.1103/PhysRevE.84.031801

McCarty, J., Clark, A. J.; Copperman, J., Guenza, M. G. (2014). An Analytical Coarse-Graining Method which Preserves the Free Energy, Structural Correlations, and Thermodynamic State of Polymer Melts from the Atomistic to the Mesoscale. J. Chem. Phys., 140, 204913.

Schweizer, K., Curro, J. (1994). PRISM Theory of the Structure, Thermodynamics, and Phase Transitions of Polymer Liquids and Alloys. Advances in Polymer Science, 116, 319 – 377. https://doi.org/10.1007/BFb0080203