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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
- List of quantum chemistry and solid state physics software
- Comparison of software for molecular mechanics modeling
- Comparison of nucleic acid simulation software
- Molecular design software
- Molecule editor
- Carbon nanotube
- Boron nitride nanotube
- Graphene
References
- Huhtala, Maria; Kuronen, Antti; Kaski, Kimmo (2002). "Carbon nanotube structures: molecular dynamics simulation at realistic limit" (PDF). Computer Physics Communications. 146 (1): 30. Bibcode:2002CoPhC.146...30H. doi:10.1016/S0010-4655(02)00432-0. Archived from the original (PDF) on 27 June 2008.
- "FURIOUSATOMS". furiousatoms.com. Retrieved 2022-04-08.
- Aionics
- Brandbyge, Mozos, Ordejón, Taylor and Stokbro (2002). "Density-functional method for non-equilibrium electron transport". Physical Review B. 65 (16): 165401. arXiv:cond-mat/0110650. Bibcode:2002PhRvB..65p5401B. doi:10.1103/PhysRevB.65.165401. S2CID 44943573.
{{cite journal}}: CS1 maint: multiple names: authors list (link) - CST Studio Suite
- Deneb
- Exabyte
- Nanoengineer-1 Archived 2015-08-01 at the Wayback Machine
- Nanotube Modeler
- NEMO 3-D
- Quantum Dot Lab
- nextnano.com
- Materials Design MedeA
- Materials Square
- I.A. Solov'yov; A.V. Korol; A.V. Solov'yov (2017). Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer. Springer International Publishing. ISBN 978-3-319-56085-4.
- "MBN Explorer and MBN Studio software".
- MD-kMC
- Nordlund, K.; Ghaly, M.; Averback, R. S.; Caturla, M.; Diaz de la Rubia, T.; Tarus, J. (1998-04-01). "Defect production in collision cascades in elemental semiconductors and fcc metals". Physical Review B. 57 (13): 7556–7570. Bibcode:1998PhRvB..57.7556N. doi:10.1103/PhysRevB.57.7556.
- Ghaly, Mai.; Nordlund, Kai.; Averback, R. S. (1999). "Molecular dynamics investigations of surface damage produced by kiloelectronvolt self-bombardment of solids". Philosophical Magazine A. 79 (4): 795–820. Bibcode:1999PMagA..79..795G. doi:10.1080/01418619908210332. ISSN 0141-8610.
- Nordlund, K. (1995). "Molecular dynamics simulation of ion ranges in the 1–100 keV energy range". Computational Materials Science. 3 (4): 448–456. doi:10.1016/0927-0256(94)00085-q. ISSN 0927-0256.
- SAMSON Element: Nanotube creator
- SAMSON Element: Brenner interaction model
- TubeASP
- Tubegen
- Wrapping