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

• Furiousatoms - a powerful software for molecular modelling and visualization

• Aionics.io - a powerful platform for nanoscale modelling

• Ascalaph Designer

• Atomistix ToolKit and Virtual NanoLab

• CoNTub

• CP2K

• CST Studio Suite

• Deneb – 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 - a cloud-native integrated platform for nanoscale modeling, supporting simulations at multiple scales, including Density Functional Theory and Molecular Dynamics

• JCMsuite – a 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

• Nanoengineer-1 – developed by company Nanorex, but the website doesn't work, may be unavailable

• nanoHUB allows simulating geometry, electronic properties and electrical transport phenomena in various nanostructures

• Nanotube Modeler

• NEMO 3-D – enables multi-million atom electronic structure simulations in empirical tight binding; open source; an educational version is on nanoHUB and Quantum Dot Lab

• nextnano allows simulating geometry, electronic properties and electrical transport phenomena in various nanostructures using continuum models (commercial software)

• Ninithi – carbon nanotube, graphene, and Fullerene modelling software

• Materials Design MedeA

• Materials Studio

• Materials Square - a cloud-based materials simulation web platform, provides GUI for Quantum Espresso, LAMMPS, and Open Calphad

• MBN Explorer and MBN Studio

• MD-kMC

• PARCAS – Open source molecular dynamics code

• SAMSON: interactive carbon nanotube modeling and simulation

• Scigress

• TubeASP

• Tubegen

• Wrapping

See also

References