Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations

Keyphrases

• Molecular Dynamics Simulation 100%
• Pairwise Interaction 100%
• B-spline 100%
• Molecular Dynamics 66%
• Summation Methods 66%
• Electrostatic Interaction 33%
• Numerical Experiments 33%
• Fast Fourier Transform 33%
• Number of Atoms 33%
• Preprocessing Techniques 33%
• Non-periodic Boundary 33%
• Particle Mesh Ewald Method 33%
• Fast multipole Method 33%
• Massively Parallel Computation 33%
• Preprocessing Algorithm 33%
• Hamiltonian Formulation 33%
• Non-periodic Boundary Conditions 33%
• Interaction Kernels 33%
• Continuous Gradient 33%

Mathematics

• Summation 100%
• B-Spline 100%
• Numerical Experiment 20%
• Fast Fourier Transform 20%
• Fast Multipole Method 20%
• Shortfall 20%
• Coarseness 20%
• Boundary Condition 20%