The diffusive-viscous wave equation plays an important role in seismic exploration and it can be used to explain the frequency-dependent reflections observed both in laboratory and field data. The numerical solution to this type of wave equation is needed in practical applications because it is difficult to obtain the analytical solution in complex media. Finite-difference method (FDM) is the m...

Supramolecular host-guest systems play an important role for a wide range of applications in chemistry and biology. The prediction of the stability of host-guest complexes represents a great challenge to first-principles calculations due to an interplay of a wide variety of covalent and noncovalent interactions in these systems. In particular, van der Waals (vdW) dispersion interactions frequen...

New Runge–Kutta methods for method of lines solution of systems of ordinary differential equations arising from discretizations of spatial derivatives in hyperbolic equations, by Chebyshev or modified Chebyshev methods, are introduced. These Runge–Kutta methods optimize the time step necessary for stable solutions, while holding dispersion and dissipation fixed. It is found that maximizing disp...

We study the implicit time discretization of piano strings governing equations within the Timoshenko prestressed beam model. Such model features two different waves, namely the flexural and shear waves, that propagate with very different velocities. We present a novel implicit time discretization that reduces the numerical dispersion while allowing the use of a large time step in the numerical ...

The insatiable demand to optimize and engineer new functionalities in electromagnetic devices has risen their geometrical complexity unprecedented levels. This usually results computationally multiscale problems with some tiny components of great importance the overall behavior these devices. Block meshing is a powerful technique for treating such problems. usage variable mesh size adaptable ad...