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Evidence of information limitations in coarse-grained models

https://doi.org/10.1063/1.5129398
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Deriving effective mesoscale potentials from atomistic simulations
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Comparison Between Coarse‐Graining Models for Polymer Systems: Two Mapping Schemes for Polystyrene
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Hybrid Approaches to Coarse‐Graining using the VOTCA Package: Liquid Hexane
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The power of coarse graining in biomolecular simulations
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Software update: the ORCA program system, version 4.0
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Fast Parallel Algorithms for Short-Range Molecular Dynamics
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A uniqueness theorem for fluid pair correlation functions
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Implementing molecular dynamics on hybrid high performance computers – Particle–particle particle-mesh
inferredcites →https://doi.org/10.1021/acs.jctc.8b00920openalex-snapshot
Graph-Based Approach to Systematic Molecular Coarse-Graining
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Development of New Transferable Coarse-Grained Models of Hydrocarbons
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Enhancing Cation Diffusion and Suppressing Anion Diffusion via Lewis-Acidic Polymer Electrolytes
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Understanding Missing Entropy in Coarse-Grained Systems: Addressing Issues of Representability and Transferability
inferredcites →https://doi.org/10.1021/acscentsci.8b00913openalex-snapshot
Machine Learning of Coarse-Grained Molecular Dynamics Force Fields
inferredcites →https://doi.org/10.1021/ct301017qopenalex-snapshot
Convergence of Sampling Kirkwood–Buff Integrals of Aqueous Solutions with Molecular Dynamics Simulations
inferredcites →https://doi.org/10.1021/ct400242ropenalex-snapshot
Representability and Transferability of Kirkwood–Buff Iterative Boltzmann Inversion Models for Multicomponent Aqueous Systems
inferredcites →https://doi.org/10.1021/ct900369wopenalex-snapshot
Versatile Object-Oriented Toolkit for Coarse-Graining Applications
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Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
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Coarse Grained Model for Semiquantitative Lipid Simulations
inferredcites →https://doi.org/10.1021/jp0523571openalex-snapshot
Mapping Atomistic Simulations to Mesoscopic Models: A Systematic Coarse-Graining Procedure for Vinyl Polymer Chains
inferredcites →https://doi.org/10.1021/jp071097fopenalex-snapshot
The MARTINI Force Field: Coarse Grained Model for Biomolecular Simulations
inferredcites →https://doi.org/10.1021/jp1063935openalex-snapshot
Transferable Potentials for Phase Equilibria−Coarse-Grain Description for Linear Alkanes
inferredcites →https://doi.org/10.1021/jp306442bopenalex-snapshot
SAFT-γ Force Field for the Simulation of Molecular Fluids: 2. Coarse-Grained Models of Greenhouse Gases, Refrigerants, and Long Alkanes
inferredcites →https://doi.org/10.1039/c3cs60093aopenalex-snapshot
Perspective on the Martini model
inferredcites →https://doi.org/10.1039/c7cp03926copenalex-snapshot
Evaluation of mapping schemes for systematic coarse graining of higher alkanes
inferredcites →https://doi.org/10.1063/1.1480863openalex-snapshot
Statistical mechanical models with effective potentials: Definitions, applications, and thermodynamic consequences
inferredcites →https://doi.org/10.1063/1.2038787openalex-snapshot
Multiscale coarse graining of liquid-state systems
inferredcites →https://doi.org/10.1063/1.2360580openalex-snapshot
Modeling real dynamics in the coarse-grained representation of condensed phase systems
inferredcites →https://doi.org/10.1063/1.2715953openalex-snapshot
Representability problems for coarse-grained water potentials
inferredcites →https://doi.org/10.1063/1.2938857openalex-snapshot
The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models
inferredcites →https://doi.org/10.1063/1.2938860openalex-snapshot
The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models
inferredcites →https://doi.org/10.1063/1.2992060openalex-snapshot
The relative entropy is fundamental to multiscale and inverse thermodynamic problems
inferredcites →https://doi.org/10.1063/1.3050353openalex-snapshot
Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment
inferredcites →https://doi.org/10.1063/1.3167797openalex-snapshot
The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperatures
inferredcites →https://doi.org/10.1063/1.3394862openalex-snapshot
The multiscale coarse-graining method. V. Isothermal-isobaric ensemble
inferredcites →https://doi.org/10.1063/1.3394863openalex-snapshot
The multiscale coarse-graining method. VI. Implementation of three-body coarse-grained potentials
inferredcites →https://doi.org/10.1063/1.3513365openalex-snapshot
Why are coarse-grained force fields too fast? A look at dynamics of four coarse-grained polymers
inferredcites →https://doi.org/10.1063/1.3681140openalex-snapshot
Coarse-grained models for the solvents dimethyl sulfoxide, chloroform, and methanol
inferredcites →https://doi.org/10.1063/1.467468openalex-snapshot
Constant pressure molecular dynamics algorithms
inferredcites →https://doi.org/10.1063/1.4759463openalex-snapshot
A test of systematic coarse-graining of molecular dynamics simulations: Thermodynamic properties
inferredcites →https://doi.org/10.1063/1.4819472openalex-snapshot
A test of systematic coarse-graining of molecular dynamics simulations: Transport properties
inferredcites →https://doi.org/10.1063/1.4937383openalex-snapshot
Bottom-up coarse-grained models that accurately describe the structure, pressure, and compressibility of molecular liquids
inferredcites →https://doi.org/10.1063/1.4959168openalex-snapshot
On the representability problem and the physical meaning of coarse-grained models
inferredcites →https://doi.org/10.1063/1.5040114openalex-snapshot
Encoding and selecting coarse-grain mapping operators with hierarchical graphs
inferredcites →https://doi.org/10.1063/1.5094330openalex-snapshot
Dual approach for effective potentials that accurately model structure and energetics
inferredcites →https://doi.org/10.1080/08927020601054050openalex-snapshot
Multi-property fitting and parameterization of a coarse grained model for aqueous surfactants
inferredcites →https://doi.org/10.1080/08927022.2012.671942openalex-snapshot
Coarse-grained molecular models of water: a review
inferredcites →https://doi.org/10.1088/0953-8984/14/40/311openalex-snapshot
Beware of density dependent pair potentials
inferredcites →https://doi.org/10.1103/physreve.52.3730openalex-snapshot
Calculation of effective interaction potentials from radial distribution functions: A reverse Monte Carlo approach
inferredcites →https://doi.org/10.1103/physrevlett.103.198104openalex-snapshot
Generalized Yvon-Born-Green Theory for Molecular Systems
inferredcites →https://doi.org/10.1140/epje/i2008-10413-5openalex-snapshot
Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?
inferredcites →https://doi.org/10.1140/epjst/e2016-60154-9openalex-snapshot
Comparison of systematic coarse-graining strategies for soluble conjugated polymers

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Introducing a Hydrogen-Simplified Force-Matched Coarse Grained Force Field to Explore Larger Spatiotemporal Domains in Molecular Dynamics Models of Bitumen
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An Information-Theory-Based Approach for Optimal Model Reduction of Biomolecules
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Pressure-Consistent Iterative Boltzmann Inversion for Coarse-Grained Molecular Dynamics
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Swarm-CG : Automatic Parametrization of Bonded Terms in MARTINI-Based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization
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Is preservation of symmetry necessary for coarse-graining?
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Graph neural network based coarse-grained mapping prediction
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A new one-site coarse-grained model for water: Bottom-up many-body projected water (BUMPer). I. General theory and model
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Surveying the energy landscape of coarse-grained mappings
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Analysis of mapping atomic models to coarse-grained resolution
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Predicting energetic and entropic driving forces with coarse-grained models
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Comparison of coarse-grained models for cis -1,4-polyisoprene-graphite system
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