Atomistix Virtual NanoLab
From Wikipedia, the free encyclopedia
Atomistix Virtual NanoLab is a user-friendly software package for simulating and analysing the properties of nanoscale devices. The program simulates measurements through numerical calculations, the workflow resembling an actual experimental process, allowing the user to set up "virtual experiments" through atomistic modeling. It mainly focuses on design and evaluation of crystalline systems, semiconductors and two-probe systems. The running engine is based on localized orbitals and Density Functional Theory.
[edit] Features
- Ab initio DFT geometry optimization
- Non-Equilibrium Green Function evaluation of crystal properties
- Electron transport through two-probe systems
The engine performing the ab initio calculations in Virtual NanoLab is the Atomistix ToolKit (ATK).
