- Home
- Publications
- Publication Search
- Publication Details
Title
Evidence of information limitations in coarse-grained models
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 151, Issue 24, Pages 244105
Publisher
AIP Publishing
Online
2019-12-23
DOI
10.1063/1.5129398
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Machine Learning of Coarse-Grained Molecular Dynamics Force Fields
- (2019) Jiang Wang et al. ACS Central Science
- Dual approach for effective potentials that accurately model structure and energetics
- (2019) Kathryn M. Lebold et al. JOURNAL OF CHEMICAL PHYSICS
- Understanding Missing Entropy in Coarse-Grained Systems: Addressing Issues of Representability and Transferability
- (2019) Jaehyeok Jin et al. Journal of Physical Chemistry Letters
- Development of New Transferable Coarse-Grained Models of Hydrocarbons
- (2018) Yaxin An et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Encoding and selecting coarse-grain mapping operators with hierarchical graphs
- (2018) Maghesree Chakraborty et al. JOURNAL OF CHEMICAL PHYSICS
- Graph-Based Approach to Systematic Molecular Coarse-Graining
- (2018) Michael A. Webb et al. Journal of Chemical Theory and Computation
- Enhancing Cation Diffusion and Suppressing Anion Diffusion via Lewis-Acidic Polymer Electrolytes
- (2017) Brett M. Savoie et al. Journal of Physical Chemistry Letters
- Evaluation of mapping schemes for systematic coarse graining of higher alkanes
- (2017) Marco Dallavalle et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Software update: the ORCA program system, version 4.0
- (2017) Frank Neese Wiley Interdisciplinary Reviews-Computational Molecular Science
- Comparison of systematic coarse-graining strategies for soluble conjugated polymers
- (2016) C. Scherer et al. European Physical Journal-Special Topics
- On the representability problem and the physical meaning of coarse-grained models
- (2016) Jacob W. Wagner et al. JOURNAL OF CHEMICAL PHYSICS
- Bottom-up coarse-grained models that accurately describe the structure, pressure, and compressibility of molecular liquids
- (2015) Nicholas J. H. Dunn et al. JOURNAL OF CHEMICAL PHYSICS
- Perspective on the Martini model
- (2013) Siewert J. Marrink et al. CHEMICAL SOCIETY REVIEWS
- A test of systematic coarse-graining of molecular dynamics simulations: Transport properties
- (2013) Chia-Chun Fu 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
- Convergence of Sampling Kirkwood–Buff Integrals of Aqueous Solutions with Molecular Dynamics Simulations
- (2013) Pritam Ganguly et al. Journal of Chemical Theory and Computation
- SAFT-γ Force Field for the Simulation of Molecular Fluids: 2. Coarse-Grained Models of Greenhouse Gases, Refrigerants, and Long Alkanes
- (2013) Carlos Avendaño et al. JOURNAL OF PHYSICAL CHEMISTRY B
- The power of coarse graining in biomolecular simulations
- (2013) Helgi I. Ingólfsson et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Coarse-grained models for the solvents dimethyl sulfoxide, chloroform, and methanol
- (2012) Jane R. Allison et al. JOURNAL OF CHEMICAL PHYSICS
- A test of systematic coarse-graining of molecular dynamics simulations: Thermodynamic properties
- (2012) Chia-Chun Fu et al. JOURNAL OF CHEMICAL PHYSICS
- Coarse-grained molecular models of water: a review
- (2012) Kevin R. Hadley et al. MOLECULAR SIMULATION
- Implementing molecular dynamics on hybrid high performance computers – Particle–particle particle-mesh
- (2011) W. Michael Brown et al. COMPUTER PHYSICS COMMUNICATIONS
- Why are coarse-grained force fields too fast? A look at dynamics of four coarse-grained polymers
- (2011) Praveen Depa et al. JOURNAL OF CHEMICAL PHYSICS
- Transferable Potentials for Phase Equilibria−Coarse-Grain Description for Linear Alkanes
- (2011) Katie A. Maerzke et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Hybrid Approaches to Coarse-Graining using the VOTCA Package: Liquid Hexane
- (2011) Victor Rühle et al. MACROMOLECULAR THEORY AND SIMULATIONS
- The multiscale coarse-graining method. VI. Implementation of three-body coarse-grained potentials
- (2010) Luca Larini et al. JOURNAL OF CHEMICAL PHYSICS
- The multiscale coarse-graining method. V. Isothermal-isobaric ensemble
- (2010) Avisek Das et al. JOURNAL OF CHEMICAL PHYSICS
- Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?
- (2009) Han Wang et al. EUROPEAN PHYSICAL JOURNAL E
- Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment
- (2009) B. M. Mognetti et al. JOURNAL OF CHEMICAL PHYSICS
- The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperatures
- (2009) Vinod Krishna 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
- Generalized Yvon-Born-Green Theory for Molecular Systems
- (2009) J. W. Mullinax et al. PHYSICAL REVIEW LETTERS
- The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models
- (2008) W. G. Noid et al. JOURNAL OF CHEMICAL PHYSICS
- 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
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now