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Adequate initial configurations for molecular dynamics simulations consist of arrangements of molecules distributed in space in such a way to approximately represent the system's overall structure. In order that the simu...

QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, a...

The Open Visualization Tool (OVITO) is a new 3D visualization software designed for post-processing atomistic data obtained from molecular dynamics or Monte Carlo simulations. Unique analysis, editing and animations func...

In 21st century, convergences of technologies and services in heterogeneous environment have contributed multi-traffic. This scenario will affect computer network on learning system in higher educational Institutes. Impl...

If radiocarbon measurements are to be used at all for chronological purposes, we have to use statistical methods for calibration. The most widely used method of calibration can be seen as a simple application of Bayesian...