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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 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

References

References

  1. (2002). "Carbon nanotube structures: molecular dynamics simulation at realistic limit". Computer Physics Communications.
  2. "FURIOUSATOMS".
  3. [http://www.aionics.io Aionics]
  4. Brandbyge, Mozos, Ordejón, Taylor and Stokbro. (2002). "Density-functional method for non-equilibrium electron transport". Physical Review B.
  5. [http://www.cst.com/ CST Studio Suite]
  6. {{usurped
  7. [http://www.exabyte.io Exabyte]
  8. [http://www.nanorex.com/ Nanoengineer-1] {{webarchive. link. (2015-08-01)
  9. [http://www.jcrystal.com/ Nanotube Modeler]
  10. [https://engineering.purdue.edu/gekcogrp/software-projects/nemo3D/ NEMO 3-D]
  11. [http://nanohub.org/tools/qdot Quantum Dot Lab]
  12. [https://www.nextnano.com nextnano.com]
  13. [http://www.materialsdesign.com/medea Materials Design MedeA]
  14. [https://www.materialssquare.com Materials Square]
  15. (2017). "Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer". Springer International Publishing.
  16. "MBN Explorer and MBN Studio software".
  17. [https://web.archive.org/web/20090624043750/http://www.kintechlab.com/products/md-kmc/ MD-kMC]
  18. (1998-04-01). "Defect production in collision cascades in elemental semiconductors and fcc metals". Physical Review B.
  19. (1999). "Molecular dynamics investigations of surface damage produced by kiloelectronvolt self-bombardment of solids". Philosophical Magazine A.
  20. Nordlund, K.. (1995). "Molecular dynamics simulation of ion ranges in the 1–100 keV energy range". Computational Materials Science.
  21. [https://samson-connect.net/app/main?key=element&uuid=1ebd1e1c-2f89-62bd-02c2-08216dcbd60b SAMSON Element: Nanotube creator]
  22. [https://samson-connect.net/app/main?key=element&uuid=ad608cb6-6971-7cd4-6fcc-34531998e743 SAMSON Element: Brenner interaction model]
  23. [https://web.archive.org/web/20090327223749/http://k.1asphost.com/tubeasp/tubeASP.asp TubeASP]
  24. [http://turin.nss.udel.edu/research/tubegenonline.html Tubegen]
  25. [http://www.photon.t.u-tokyo.ac.jp/~maruyama/wrapping3/wrapping.html Wrapping]
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