List of software for nanostructures modeling

Source: Wikipedia, the free encyclopedia.

Three dimensional molecular model of an all-carbon tubular fullerene.

This is a list of computer programs that are used to model nanostructures at the levels of classical mechanics[1] and quantum mechanics.

  • Furiousatoms[2] - a powerful software for molecular modelling and visualization
  • Aionics.io[3] - a powerful platform for nanoscale modelling
  • Ascalaph Designer
  • Atomistix ToolKit and Virtual NanoLab[4]
  • CoNTub
  • CP2K
  • CST Studio Suite[5]
  • Deneb[6] – graphical user interface (GUI) for SIESTA, VASP, QE, etc., DFT calculation packages
  • Enalos Cloud Platform – a cloud platform containing tools for the digital construction of energy minimized nanotubes and ellipsoidal nanoparticles and the calculation of their atomistic descriptors.
  • Exabyte.io[7] - a cloud-native integrated platform for nanoscale modeling, supporting simulations at multiple scales, including Density Functional Theory and Molecular Dynamics
  • finite element analysis
    software for simulating optical properties of nanostructures
  • LAMMPS – Open source molecular dynamics code
  • MAPS - Graphical user interface to build complex systems (nanostructures, polymers, surfaces...), set up and analyze ab-initio (Quantum Espresso, VASP, Abinit, NWChem...) or classical (LAMMPS, Towhee) simulations
  • nanoHUB allows simulating geometry, electronic properties and electrical transport phenomena in various nanostructures
  • Ninithi – carbon nanotube, graphene, and Fullerene modelling software
  • Nanoengineer-1[8] – developed by company Nanorex, but the website doesn't work, may be unavailable
  • NEMO 3-D[9] – enables multi-million atom electronic structure simulations in empirical tight binding; open source; an educational version is on nanoHUB and Quantum Dot Lab[10]
  • Nanotube Modeler[11]
  • Materials Design MedeA[12]
  • Materials Studio
  • Materials Square
    Calphad
  • MBN Explorer and MBN Studio[14][15]
  • MD-kMC[16]
  • PARCAS[17][18][19] – Open source molecular dynamics code
  • SAMSON: interactive carbon nanotube modeling[20] and simulation[21]
  • Scigress
  • TubeASP[22]
  • Tubegen[23]
  • Wrapping[24]

See also

References