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List of software for nanostructures modeling
List article

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

  • Science portal
  • Technology portal

References

  1. 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. https://web.archive.org/web/20080627183309/http://www.princeton.edu/~msammalk/publications/cpc146_02.pdf ↩

  2. "FURIOUSATOMS". furiousatoms.com. Retrieved 2022-04-08. https://furiousatoms.com/ ↩

  3. Aionics http://www.aionics.io ↩

  4. 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) /wiki/ArXiv_(identifier) ↩

  5. CST Studio Suite http://www.cst.com/ ↩

  6. Deneb[usurped] https://web.archive.org/web/20130408083729/https://www.atelgraphics.com/ ↩

  7. Exabyte http://www.exabyte.io ↩

  8. Nanoengineer-1 Archived 2015-08-01 at the Wayback Machine http://www.nanorex.com/ ↩

  9. Nanotube Modeler http://www.jcrystal.com/ ↩

  10. NEMO 3-D https://engineering.purdue.edu/gekcogrp/software-projects/nemo3D/ ↩

  11. Quantum Dot Lab http://nanohub.org/tools/qdot ↩

  12. nextnano.com https://www.nextnano.com ↩

  13. Materials Design MedeA http://www.materialsdesign.com/medea ↩

  14. Materials Square https://www.materialssquare.com ↩

  15. 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. 978-3-319-56085-4 ↩

  16. "MBN Explorer and MBN Studio software". http://mbnresearch.com/software-0 ↩

  17. MD-kMC https://web.archive.org/web/20090624043750/http://www.kintechlab.com/products/md-kmc/ ↩

  18. 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. /wiki/Bibcode_(identifier) ↩

  19. 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. /wiki/Bibcode_(identifier) ↩

  20. 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. /wiki/Doi_(identifier) ↩

  21. SAMSON Element: Nanotube creator https://samson-connect.net/app/main?key=element&uuid=1ebd1e1c-2f89-62bd-02c2-08216dcbd60b ↩

  22. SAMSON Element: Brenner interaction model https://samson-connect.net/app/main?key=element&uuid=ad608cb6-6971-7cd4-6fcc-34531998e743 ↩

  23. TubeASP https://web.archive.org/web/20090327223749/http://k.1asphost.com/tubeasp/tubeASP.asp ↩

  24. Tubegen http://turin.nss.udel.edu/research/tubegenonline.html ↩

  25. Wrapping http://www.photon.t.u-tokyo.ac.jp/~maruyama/wrapping3/wrapping.html ↩