Computation, Volume 7, Issue 3

For a better understanding of the nature of complex systems modeling, computer simulations and the analysis of the resulting data are major tools which can be applied. In this paper, we study a statistical modeling problem of data coming from a simul...

A methodology based on concepts that arose from Density Functional Theory (CDFT) was chosen for the calculation of global and local reactivity descriptors of the Seragamide family of marine anticancer peptides. Determination of active sites for the m...

We employed molecular dynamics simulations on the water solvation of conically shaped carbon nanoparticles. We explored the hydrophobic behaviour of the nanoparticles and investigated microscopically the cavitation of water in a conical confinement w...

Space-time prism (STP) is a comprehensive and powerful model for computing accessibility to urban opportunities. Despite other types of accessibility measures, STP models capture spatial and temporal dimensions in a unified framework. Classical STPs...

Redundant and irrelevant features disturb the accuracy of the classifier. In order to avoid redundancy and irrelevancy problems, feature selection techniques are used. Finding the most relevant feature subset that can enhance the accuracy rate of the...

The logarithmic Colebrook flow friction equation is implicitly given in respect to an unknown flow friction factor. Traditionally, an explicit approximation of the Colebrook equation requires evaluation of computationally demanding transcendental fun...

At the cost of added complexity and time, hyperspectral imaging provides a more accurate measure of the scene’s irradiance compared to an RGB camera. Several camera designs with more than three channels have been proposed to improve the accurac...

In addition to the conventional Isothermal Titration Calorimetry (ITC), kinetic ITC (kinITC) not only gains thermodynamic information, but also kinetic data from a biochemical binding process. Moreover, kinITC gives insights into reactions consisting...

This article presents the applications of continuous symmetry groups to the computational fluid dynamics simulation of gas flow in porous media. The family of equations for one-phase flow in porous media, such as equations of gas flow with the Klinke...

In the field of engineering when a situation is not resolved analytically, efforts are made to develop methods that approximate a possible solution. These efforts have originated the numerical methods known at present, which allow formulating mathema...