Incorporating surface polarization effects into large-scale coarse-grained Molecular Dynamics simulation

Keyphrases

• Coarse-grained Molecular Dynamics Simulation 100%
• Surface Polarization 100%
• Computational Methods 66%
• Polyelectrolyte 66%
• Induced Charge 66%
• Dielectric Mismatch 66%
• Dielectric Medium 33%
• Analytical Results 33%
• Electrolyte 33%
• Compress 33%
• Relaxation Time 33%
• Parallel Performance 33%
• Spatial Confinement 33%
• Published Results 33%
• Dielectric Confinement 33%
• Energy Functional 33%
• Multivalent Counterions 33%
• Charged Interface 33%
• Highly Charged 33%
• Polarizable 33%
• Conformational Behavior 33%
• Relaxation Scheme 33%
• Conformational Relaxation 33%
• Boundary Element Method 33%
• Poisson Equation 33%
• Over-relaxation 33%
• Radius of Gyration 33%
• Low Dielectric 33%
• Mesh Point 33%
• Electrolyte Systems 33%
• LAMMPS 33%
• Generalized Minimal Residual (GMRES) 33%
• Polyelectrolyte Adsorption 33%
• Spherical Droplet 33%
• Direct Optimization 33%
• Rouse Modes 33%
• Induced Charge Density 33%
• Practical Simulation 33%

Engineering

• Coarse-Grained Molecular Dynamic 100%
• Dielectrics 100%
• Induced Charge 100%
• Polarization Effect 100%
• Analytical Result 33%
• Dielectric Medium 33%
• over-Relaxation 33%
• Energy Functional 33%
• Charge Density 33%
• Boundary Element Method 33%
• Radius of Gyration 33%
• Relaxation Time 33%

Material Science

• Surface (Surface Science) 100%
• Dielectric Material 100%
• Polyelectrolyte 50%
• Boundary Element Method 25%
• Polyelectrolyte Adsorption 25%
• Density 25%