List of software for nanostructures modeling



This is a list of 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