Sentence examples for by using first principles from inspiring English sources

The optimal trajectory of inputs and outputs is off-line computed by using first principles model.

In this paper, we propose such candidate of ferromagnet without containing magnetic element by using first principles calculation.

The effect of external static charging on borophenes – 2D boron crystals – is investigated by using first principles calculations.

In this work, we explore BN doping behaviors with three different concentrations in graphene matrix by using first principles calculations.

The thermal transport properties of graphene nanoribbons (GNRs) with pentagon heptagon defect (PHD) are studied by using first principles calculations in combination with non-equilibrium Green's function approach.

By using first principle calculations we have studied the magnetic, electronic and transport properties of zigzag-graphene nanoribbon (zGNR) with a topological line defect (LD) composed of pentagons and heptagons (5-7).

We have studied the lithiation-induced amorphization of crystalline silicon by using first-principles calculations.

Structural and electronic properties of two-dimensional stanene and graphene heterostructure (Sn/G) are studied by using first-principles calculations.

The electronic properties of aluminum-adsorbed graphenes enriched by multi-orbital hybridizations are investigated by using first-principles calculations.

Magnetic properties of gallium nitride (GaN) semiconductor nanoclusters (NCs) of different sizes were systematically studied by using first-principles calculations.

In this work, we design a new 2D stanene/graphene heterostructure and study its geometric and electronic properties by using first-principles calculations.