Sentence examples for by using molecular simulation from inspiring English sources

We have systematically investigated adsorption and separation of the sulfur gas H2S and SO2 in covalent-organic materials (COMs) by using molecular simulation.

Recent advances achieved by using molecular simulations as well as theoretical and experimental investigations are elaborated and discussed with emphasis on their implications to the rational design of novel chromatographic surfaces or materials and mobile phase conditions for the development of high-performance protein chromatography.

The effect of strain on thermal conductivity of amorphous SiO2 thin films is simulated by using molecular dynamics simulation (MD).

By using molecular dynamics simulation and ab initio calculations, a comprehensive analysis of the results is executed.

Phase transformation between bcc and fcc in Fe Ni nanoparticle has been studied by using molecular dynamics simulation with an embedded atom method.

Buckling and postbuckling analysis of single-walled carbon nanotubes (SWCNTs) with (n, n)- and (n, 0 -helicity, when acted upon by the destabilizing loads of axial compression, torsion and external pressure, is presented by using molecular dynamics simulation.

Here, we investigate the role of the intrinsic backbone chain stiffness on the morphology behavior of bottle-brush diblock copolymers by using molecular dynamics simulations of a bead-spring coarse-grained model.

The dynamic impact response of giant buckyball C720 is investigated by using molecular dynamics simulations.

The phase behaviors of a single adsorbed polymethylene chain are investigated by using molecular dynamics simulations.

In this paper, another important property – thermal conductivity is systematically investigated by using molecular dynamics simulations.

The buckling behavior of defective single-walled carbon nanotubes (CNTs) under torsion is investigated by using molecular dynamics simulations.