Sentence examples for principle calculations from inspiring English sources

They assessed the two compounds in the system using the CALPHAD approach and first principle calculations.

ME is a professor in Theoretical Physics, doing first principle calculations.

First, principle calculations claim that this also holds for nanowires [30].

First principle calculations [30, 31] predict that the oxygen vacancies are negative-U centers.

Moreover, the first principle calculations theoretically reveal the desirable electronic structure.

The optical constants of each thin film are determined by using the first principle calculations.

As calculated in our first-principle calculations, Zn 1−x Fe x O with Zn van is finally compromised into an antiferromagnetic state.

TO performed the XAFS spectra measurements and the first-principle calculations.

A combination of microscopy and first-principle calculations is used to study the bonding charge density in aluminum.

Here, we utilize first-principle calculations to investigate the interface between HfO2 and GaAs.

Two sp + sp3-hybridized yne-diamond (YD) allotropes are designed by employing first-principle calculations.