Semi-analytical solution for the generalized absorbing boundary condition in molecular dynamics simulations

Mathematics

• Molecular Dynamics Simulation 100%
• Absorbing Boundary Conditions 86%
• History 43%
• Kernel Function 34%
• Arbitrary 33%
• Non-equilibrium Molecular Dynamics 32%
• kernel 22%
• Inverse Laplace Transform 22%
• Triangular Lattice 21%
• Crystal 16%
• Demonstrate 9%
• Concepts 8%
• Form 6%

Engineering & Materials Science

• Molecular dynamics 72%
• Crystal lattices 49%
• Boundary conditions 49%
• Inverse transforms 41%
• Laplace transforms 38%
• Computer simulation 35%
• Atoms 33%
• Decomposition 23%