List of software for nanostructures modeling

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
• Deneb Powerful Graphical User Interface (GUI) for SIESTA, VASP, QE, etc., DFT calculation packages.
• Nanohub allows simulating geometry, electronic properties and electrical transport phenomena in various nanostructures
• Ninithi-A Carbon Nanotube, Graphene and Fullerene modelling software
• Nanoengineer-1 (developed by company Nanorex, but the website doesn't work, probably no more available)
• 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 Modeler
• Materials Design MedeA
• Materials Studio
• MD-kMC
• SAMSON
• SCIGRESS
• TubeASP
• Tubegen
• Wrapping

See also

• List of quantum chemistry and solid state physics software
• List of software for molecular mechanics modeling
• List of nucleic acid simulation software
• Molecular design software
• Molecule editor
• Carbon nanotube
• Boron nitride nanotube
• Graphene

References

1. Huhtala, Maria; Kuronen, Antti; Kaski, Kimmo (2002). "Carbon nanotube structures: molecular dynamics simulation at realistic limit" (PDF). Computer Physics Communications 146: 30. Bibcode:2002CoPhC.146...30H. doi:10.1016/S0010-4655(02)00432-0. Archived from the original (PDF) on June 27, 2008.
2. Brandbyge, Mozos, Ordejón, Taylor and Stokbro (2002). "Density-functional method for non-equilibrium electron transport". Physical Review B 65: 165401. arXiv:cond-mat/0110650. Bibcode:2002PhRvB..65p5401B. doi:10.1103/PhysRevB.65.165401.