Van der Waals Perspective on Coarse-Graining: Progress toward Solving Representability and Transferability Problems

Keyphrases

• Van Der Waals 100%
• Transferability 100%
• All-atom Model 100%
• Thermodynamic Properties 80%
• Coarse-grained Model 80%
• Thermodynamics 60%
• Structural Properties 60%
• Potential of Mean Force 60%
• Compressibility 40%
• High-resolution 20%
• Toluene 20%
• Heptane 20%
• Equation of State 20%
• Parametrization 20%
• Detailed Model 20%
• Prediction Accuracy 20%
• Many-body Potentials 20%
• Variational Principle 20%
• Physical Forces 20%
• Computational Efficiency 20%
• Thermodynamic State 20%
• Density Dependence 20%
• Configuration Space 20%
• Substructure Method 20%
• Conspectus 20%
• False Dichotomies 20%
• Molecular Liquids 20%
• Free Lunch 20%
• Equilibrium Pressure 20%
• Model Limitations 20%
• Density Equation 20%
• Pressure Matching 20%
• Pressure Equation 20%
• Bottom-up Model 20%
• Intermolecular Structure 20%

Chemistry

• Thermodynamic Property 100%
• Compressibility 66%
• Many-Body Potential 33%
• Equations of State 33%