Sentence examples for based on first principles from inspiring English sources

New concepts based on first principles are needed.

Automobile exhaust gas conversion was simulated with a reactor model based on first principles.

A single channel model for a heavy-duty SCR catalyst was derived based on first principles.

Both, the plant and controller models are based on first principles.

A dynamic model based on first principles is developed for the entire CIL circuit.

Based on first principles DFT calculations, we systematically investigate the electronic and magnetic properties of zigzag arsenene nanoribbons (ZAsNRs).

Our simulation based on first-principles band topology theoretically reveals the surface electron scattering behavior.

Here we present an understanding of skyrmions in such systems based on first-principles electronic structure theory.

Furthermore, the elastic moduli of the predicted intermetallics are studied based on first-principles calculations.

We have calculated the superconducting critical temperature Tc of hole-doped delafossite CuAlO2 based on first-principles calculations.

Based on first-principles calculations within the density functional theory, materials design of filled tetrahedral compound magnetic semiconductors is proposed.