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List of software for nanostructures modeling

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Title: List of software for nanostructures modeling  
Author: World Heritage Encyclopedia
Language: English
Subject: Materials science, Carbon nanotubes, NanoLanguage, Gerhard Klimeck, List of nucleic acid simulation software
Collection: Carbon Nanotubes, Materials Science, Molecular Modelling Software
Publisher: World Heritage Encyclopedia

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]
  • 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 Modeller
  • Materials Design MedeA
  • Materials Studio
  • MD-kMC
  • TubeASP
  • Tubegen
  • Wrapping

See also


  1. ^ Huhtala, Maria; Kuronen, Antti; Kaski, Kimmo (2002). "Carbon nanotube structures: molecular dynamics simulation at realistic limit" (PDF). Computer Physics Communications 146: 30.  
  2. ^ Brandbyge, Mozos, Ordejón, Taylor and Stokbro (2002). "Density-functional method for non-equilibrium electron transport". Physical Review B 65: 165401.  
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