Bottom-up coarse-grained models that accurately describe the structure, pressure, and compressibility of molecular liquids

Keyphrases

• All-atom 16%
• All-atom Model 33%
• Atom Density 16%
• Coarse-grained Method 33%
• Coarse-grained Model 100%
• Coarse-graining Model 100%
• Cohesion 16%
• Cohesive Energy Density 16%
• Compressibility 100%
• Density Fluctuations 16%
• Dependent Contributions 16%
• Developed Pressure 16%
• Equilibrium Density 16%
• Heptane 33%
• Interaction Potential 16%
• Many-body Potentials 16%
• Mean Pressure 16%
• Molecular Liquids 100%
• Multiscale Coarse-graining 16%
• Potential of Mean Force 33%
• Pressure Fluctuation 16%
• Pressure Matching 16%
• Quantitative Accuracy 16%
• Self-consistent Approach 16%
• Structural Properties 16%
• Thermodynamic Pressure 16%
• Thermodynamic Properties 33%
• Toluene 33%
• Variational Principle 16%
• Volume Dependence 16%