Medea Vasp

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

VASP 4.6; VASP 5.2.2: Release note; VASP 5.2: Manual updates. VASP an introduction. Outline of the structure of the program; Tutorial, first steps. The installation of VASP. How to obtain the VASP package; Installation of VASP; Compiling and maintaining VASP; Updating VASP; Pre-compiler flags overview, parallel version and Gamma point.

This is a list of computer programs that are used to model nanostructures at the levels of classical mechanics[1] and quantum mechanics.

  • Atomistix ToolKit and Virtual NanoLab[2]
  • CST Studio Suite[3]
  • Deneb[4] – graphical user interface (GUI) for SIESTA, VASP, QE, etc., DFT calculation packages
  • Exabyte.io[5] - a cloud-native integrated platform for nanoscale modeling, supporting simulations at multiple scales, including Density Functional Theory and Molecular Dynamics
  • 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[6] – developed by company Nanorex, but the website doesn't work, may be unavailable
  • NEMO 3-D[7] – enables multi-million atom electronic structure simulations in empirical tight binding; open source; an educational version is on nanoHUB and Quantum Dot Lab[8]
  • Nanotube Modeler[9]
  • Materials Design MedeA[10]
  • Materials Square[11] - a cloud-based materials simulation web platform, provides GUI for Quantum Espresso, LAMMPS, and Open Calphad
  • MBN Explorer and MBN Studio[12][13]
  • MD-kMC[14]
  • PARCAS[15][16][17] – Open source molecular dynamics code
  • SAMSON: interactive carbon nanotube modeling[18] and simulation[19]
  • TubeASP[20]
  • Tubegen[21]
  • Wrapping[22]

See also[edit]

References[edit]

  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.
  2. ^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.CS1 maint: multiple names: authors list (link)
  3. ^CST Studio Suite
  4. ^Deneb
  5. ^Exabyte
  6. ^Nanoengineer-1Archived 2015-08-01 at the Wayback Machine
  7. ^NEMO 3-D
  8. ^Quantum Dot Lab
  9. ^Nanotube Modeler
  10. ^Materials Design MedeA
  11. ^Materials Square
  12. ^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. ISBN978-3-319-56085-4.
  13. ^'MBN Explorer and MBN Studio software'.
  14. ^MD-kMC
  15. ^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.
  16. ^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. ISSN0141-8610.
  17. ^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. ISSN0927-0256.
  18. ^SAMSON Element: Nanotube creator
  19. ^SAMSON Element: Brenner interaction model
  20. ^TubeASP
  21. ^Tubegen
  22. ^Wrapping
Retrieved from 'https://en.wikipedia.org/w/index.php?title=List_of_software_for_nanostructures_modeling&oldid=933157233'

1994 fleetwood wilderness travel trailer owners manual. Commercially availableAn industrially supported, compiled, and tested form of VASP is part of 's MedeA software environment. Integrated with the world's leading structural databases, MedeA offers VASP users a comprehensive software platform for large-scale computational materials science and engineering.has experience in cluster-computing since 2001 and offers professional VASP installation support. Init-services includes generation of optimized binaries (derivatives of VASP like vtst, gamma-point, EXCH). For further information contact:This email address is being protected from spambots. You need JavaScript enabled to view it.Free utilitiesDatabases & Big Datasupports the VASP code and its users: NOMAD offers uploading, downloading, sharing, assigning DOIs, and more. Storing is guaranteed for at least 10 years, a requirement set by several funding agencies.Visualisation (& Building)is visualisation suite for VASP written by Orest Dubay.

Medea Vasp

It contains an extensible GUI framework, that can be used to view material structure, density of states, band-structure and more.is a scientific visualization package for examining output files generated by VASP. It displays iso-surfaces and slices of a three-dimensional data set, along with the atoms that make up the molecule the calculations were performed for, and allows symbolic bonds to be inserted between them.is a crystalline and molecular structure visualisation program, which aims at display of isosurfaces and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated. It can run on most UNIX platforms, without any special hardware requirements. If you'd like to use XcrysDen to visualize VASP output, then you'll probably want to check out: a command line tool that converts structural output data generated by VASP (crystal structure, charge density, electron localization function, and local potential) to a format that can be read by XCrysDen.(Visualization for Electronical and Strucural Analysis) is a 3D visualization program for structural models, volumetric data such as electron/nuclear densities, and crystal morphologies.an open-source Java viewer for chemical structures in 3D.