Large-scale atomistic simulations of nanostructured materials based on divide-and-conquer density functional theory

A linear-scaling algorithm based on a divide-and-conquer (DC) scheme is designed to perform large-scale molecular-dynamics simulations, in which interatomic forces are computed quantum mechanically in the framework of the density functional theory (DFT).This scheme is applied to the thermite reaction at an Al/Fe2O3 interface.It is found that mass d

read more

Attitudes of youth towards cyber vandalism

The topic of this research was the investigation of attitudes towards cyber vandalism through the establishment of gender and age differences in assessing the seriousness of cyber vandalism and the opinion differences regarding the appropriate kinds of punishment and the motives for this behavior.The sample included 200 primary and secondary studen

read more


The general movements assessment and effects of an early intervention in an infant with Cri du chat syndrome: a case report

Background.Cri du chat syndrome (CdCS) is a rare orphan genetic disorder.Infants with CdCS have a neurodevelopmental dysfunction, but there are limited studies on their spontaneous movements or effect of the early CARD interventions in children with CdCS.This study aimed to describe early spontaneous movements and investigate the effects of an earl

read more