Thermodynamic consistency and other challenges in coarse-graining models
Published 2015 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Thermodynamic consistency and other challenges in coarse-graining models
Authors
Keywords
European Physical Journal Special Topic, Pair Distribution Function, Soft Sphere, Direct Correlation Function, Mesoscale Simulation
Journal
European Physical Journal-Special Topics
Volume 224, Issue 12, Pages 2177-2191
Publisher
Springer Nature
Online
2015-06-22
DOI
10.1140/epjst/e2015-02407-x
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- An analytical coarse-graining method which preserves the free energy, structural correlations, and thermodynamic state of polymer melts from the atomistic to the mesoscale
- (2014) J. McCarty et al. JOURNAL OF CHEMICAL PHYSICS
- Coarse-Graining Poly(ethylene oxide)–Poly(propylene oxide)–Poly(ethylene oxide) (PEO–PPO–PEO) Block Copolymers Using the MARTINI Force Field
- (2014) Selina Nawaz et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Multi-blob coarse graining for ring polymer solutions
- (2014) Arturo Narros et al. Soft Matter
- Effective potentials for representing polymers in melts as chains of interacting soft particles
- (2013) A. J. Clark et al. JOURNAL OF CHEMICAL PHYSICS
- Theoretical reconstruction of realistic dynamics of highly coarse-grained cis-1,4-polybutadiene melts
- (2013) I. Y. Lyubimov et al. JOURNAL OF CHEMICAL PHYSICS
- Representability and Transferability of Kirkwood–Buff Iterative Boltzmann Inversion Models for Multicomponent Aqueous Systems
- (2013) Pritam Ganguly et al. Journal of Chemical Theory and Computation
- The Theory of Ultra-Coarse-Graining. 1. General Principles
- (2013) James F. Dama et al. Journal of Chemical Theory and Computation
- Hierarchical Multiscale Modeling of Polymer–Solid Interfaces: Atomistic to Coarse-Grained Description and Structural and Conformational Properties of Polystyrene–Gold Systems
- (2013) Karen Johnston et al. MACROMOLECULES
- Chemically transferable coarse-grained potentials from conditional reversible work calculations
- (2012) E. Brini et al. JOURNAL OF CHEMICAL PHYSICS
- Thermodynamic Consistency in Variable-Level Coarse Graining of Polymeric Liquids
- (2012) A. J. Clark et al. PHYSICAL REVIEW LETTERS
- First-principle approach to rescale the dynamics of simulated coarse-grained macromolecular liquids
- (2011) I. Lyubimov et al. PHYSICAL REVIEW E
- Mapping of polymer melts onto liquids of soft-colloidal chains
- (2010) A. J. Clark et al. JOURNAL OF CHEMICAL PHYSICS
- Multiscale modeling of binary polymer mixtures: Scale bridging in the athermal and thermal regime
- (2010) J. McCarty et al. JOURNAL OF CHEMICAL PHYSICS
- Versatile Object-Oriented Toolkit for Coarse-Graining Applications
- (2009) Victor Rühle et al. Journal of Chemical Theory and Computation
- Multiscale Modeling of Coarse-Grained Macromolecular Liquids
- (2009) J. McCarty et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Predicting polymer dynamics at multiple length and time scales
- (2009) Vagelis A. Harmandaris et al. Soft Matter
- The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models
- (2008) W. G. Noid et al. JOURNAL OF CHEMICAL PHYSICS
- The relative entropy is fundamental to multiscale and inverse thermodynamic problems
- (2008) M. Scott Shell JOURNAL OF CHEMICAL PHYSICS
Create your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create NowAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started