This is a list of computer programs that are used for modeling of nanostructures at classical[1] and quantum levels.
- Ascalaph Designer
- Atomistix ToolKit and Virtual NanoLab[2]
- CST STUDIO SUITE(TM)
- CoNTub
- Nanohub allows simulating geometry, electronic properties and electrical transport phenomena in various nanostructures
- Nanorex
- NEMO 3-D enables multi-million atom electronic structure simulations in empirical tight binding. It is open source. An educational version is on nanoHUB as well as Quantum Dot Lab
- Nanotube Modeller
- Materials Studio
- MD-kMC
- TubeASP
- Tubegen
- Wrapping
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