“QuantumWise [Synopsys QuantumATK Team] has managed the tour-de-force of blending high performance material modeling techniques (combining solid state physics, chemistry and molecular dynamics) with user-friendliness. This opens the way to users, interested in but not comfortable with material modeling techniques to gain quite easily insights into the properties of matters.
The benefit of this package does not stop there, since the flexibility of both their graphical interface (VNL) [NanoLab] and of their NanoLanguage are also very much suited for advanced users, where automation of tasks is often very much needed. For instance, once properly interfaced with the NanoLanguage, repetitive actions (convergence tests, geometry relaxation, ...) can be fully automated, freeing time to focus on the analysis of results instead of on task.
Further, the combination of the non-equilibrium Green's function formalism with density functional theory has proved to be useful to understand the relation between material interfacial properties and the performances of nanoscaled electronic devices by quantifying, for example, their electron tunneling process, contact resistance, ...
So, to the QuantumWise team [Synopsys QuantumATK Team] : please, continue, you are on the right track. “
Dr. Geoffrey Pourtois