Physics:List of software for nanostructures modeling

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Three dimensional molecular model of an all-carbon tubular fullerene.

This is a list of 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
  • nanoHUB allows simulating geometry, electronic properties and electrical transport phenomena in various nanostructures
  • Ninithi – carbon nanotube, graphene, and Fullerene modelling software
  • Nanoengineer-1[8] – developed by company Nanorex, but the website doesn't work, may be unavailable
  • NEMO 3-D[9] – enables multi-million atom electronic structure simulations in empirical tight binding; open source; an educational version is on nanoHUB and Quantum Dot Lab[10]
  • Nanotube Modeler[11]
  • Materials Design MedeA[12]
  • Materials Studio
  • Materials Square[13] - a cloud-based materials simulation web platform, provides GUI for Quantum Espresso, LAMMPS, and Open Calphad
  • MBN Explorer and MBN Studio[14][15]
  • MD-kMC[16]
  • PARCAS[17][18][19] – Open source molecular dynamics code
  • SAMSON: interactive carbon nanotube modeling[20] and simulation[21]
  • Scigress
  • TubeASP[22]
  • Tubegen[23]
  • Wrapping[24]

See also

References

  1. ↑ Huhtala, Maria; Kuronen, Antti; Kaski, Kimmo (2002). "Carbon nanotube structures: molecular dynamics simulation at realistic limit". Computer Physics Communications 146 (1): 30. doi:10.1016/S0010-4655(02)00432-0. Bibcode: 2002CoPhC.146...30H. Archived from the original on 27 June 2008. https://web.archive.org/web/20080627183309/http://www.princeton.edu/~msammalk/publications/cpc146_02.pdf. 
  2. ↑ "FURIOUSATOMS". https://furiousatoms.com/. 
  3. ↑ Aionics
  4. ↑ Brandbyge, Mozos, Ordejón, Taylor and Stokbro (2002). "Density-functional method for non-equilibrium electron transport". Physical Review B 65 (16): 165401. doi:10.1103/PhysRevB.65.165401. Bibcode: 2002PhRvB..65p5401B. 
  5. ↑ CST Studio Suite
  6. ↑ Deneb
  7. ↑ Exabyte
  8. ↑ Nanoengineer-1
  9. ↑ NEMO 3-D
  10. ↑ Quantum Dot Lab
  11. ↑ Nanotube Modeler
  12. ↑ Materials Design MedeA
  13. ↑ Materials Square
  14. ↑ 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. 
  15. ↑ "MBN Explorer and MBN Studio software". http://mbnresearch.com/software-0. 
  16. ↑ MD-kMC
  17. ↑ 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. doi:10.1103/PhysRevB.57.7556. Bibcode: 1998PhRvB..57.7556N. 
  18. ↑ Ghaly, Mai.; Nordlund, Kai.; Averback, R. S. (1999). "Molecular dynamics investigations of surface damage produced by kiloelectronvolt self-bombardment of solids" (in en). Philosophical Magazine A 79 (4): 795–820. doi:10.1080/01418619908210332. ISSN 0141-8610. Bibcode: 1999PMagA..79..795G. 
  19. ↑ 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. 
  20. ↑ SAMSON Element: Nanotube creator
  21. ↑ SAMSON Element: Brenner interaction model
  22. ↑ TubeASP
  23. ↑ Tubegen
  24. ↑ Wrapping



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