List of software for nanostructures modeling information
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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]
^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.
^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
^NEMO 3-D
^Quantum Dot Lab
^Nanotube Modeler
^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
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