Topological indices are the real number of a molecular structure obtained via molecular graph G. Topological indices are used for QSPR, QSAR and structural design in chemistry, nanotechnology, and pharmacology. Moreover, physicochemical properties such as the boiling point, the enthalpy of vaporization, and stability can be estimated by QSAR/QSPR models. In this study, the QSPR (Quantitative St...

Computational fluid dynamics simulations result in large multivariate data sets with information such as pressure, temperature and velocity available at grid points for a sequence of steps. Velocity data is typically visualized by displaying a particle animation or streamlines. We present an efficient method for calculating particle paths based on velocity data from curvilinear grids. In order ...

This paper describes a technique that enables to generate high order / curvilinear meshes in a robust fashion. Accurate estimates of jacobian bounds are used for deriving an unconstrained optimization procedure. Both 2D and 3D valid high order meshes are presented that demonstrate the efficiency of the new technique.

For PDE examples illuminating the feedback (Redheffer product) theory of conservative boundary control systems, we need to verify conservativity of various hyperbolic PDE’s in domains Ω that have Lipschitz boundaries. A properly rigged version of Green’s Identity is then required on such domains where technical assumptions on functions at the corners of ∂Ω cannot be tolerated; such as present i...