List of software for nanostructures modeling
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This is a list of notable 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
- 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[8] – 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[9]
- NEMO 3-D[10] – enables multi-million atom electronic structure simulations in empirical tight binding; open source; an educational version is on nanoHUB and Quantum Dot Lab[11]
- nextnano[12] 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[13]
- Materials Studio
- Materials Square[14] - a cloud-based materials simulation web platform, provides GUI for Quantum Espresso, LAMMPS, and Open Calphad
- MBN Explorer and MBN Studio[15][16]
- MD-kMC[17]
- PARCAS[18][19][20] – Open source molecular dynamics code
- SAMSON: interactive carbon nanotube modeling[21] and simulation[22]
- Scigress
- TubeASP[23]
- Tubegen[24]
- Wrapping[25]
