Sentence examples for principles calculations from inspiring English sources

First principles calculations are performed by the VASP code [27].

First principles calculations were used to support the experimental data.

Finally, first principles calculations of magnetic band structures are presented.

The measurements are analyzed together with first principles calculations.

Interpreting these spectra can be aided by first principles calculations.

Strain-dependent structural and electronic properties of MoS2 materials are investigated using first principles calculations.

First-principles calculations were performed for Mg2+-containing aragonite surfaces.

First-principles calculations even demonstrate their conductor characteristics.

Here, MoS2 NTs are comprehensively studied by first-principles calculations.

Two kinds of carbon atomic chains have been investigated by first-principles calculations.

Here, we employed the state code to do the first-principles calculations.