Virtual NanoLab (without ATK) is now free for acadmic users! It works as a graphical user interface for Atomistix ToolKit (ATK), FHI-aims, VASP, QuantumEspresso, LAMMPS, GPAW and various other codes.




You name the code, we name the GUI - Virtual NanoLab

There are many great codes for atomistic simulations out there, but the most of them do not have a graphical user interface (GUI). That's why we at QuantumWise made it possible to use Virtual NanoLab as a GUI for various different codes. This way you can handle all your simulations in one platform - Virtual NanoLab. Virtual NanoLab is FREE for academic users - read more.

VNL for academic users


Examples of compatible codes

QuantumEspresso - Tutorials for using Virtual NanoLab as GUI for QuantumEspresso

LAMMPS - Tutorials for using Virtual NanoLab as GUI for LAMMPS

FHI-aims - Tutorials for using Virtual NanoLab as GUI for FHI-aims

VASP - Read more about Virtual NanoLab as GUI for VASP

GPAW - Set up input files and analyze output files

Import files 

XYZ, CAR, CASTEP, CIF, OpenBabel, ASE, VASP, and more

Export files

XYZ, CAR, CASTEP, CIF, OpenBabel, ASE, VASP, GPAW, Siesta, ABINIT, and more


Watch this video to learn how to import and export files from Virtual NanoLab

What users love about Virtual NanoLab

Build structures easily

 A 3D Builder


  • Nanotubes
  • Nanosheets
  • Nanoribbons
  • Molecules
  • Interfaces
  • Polycrystals
  • Crystals by Symmetry
  • Cleave surfaces


  • Import the crystal structure you need
  • Fullerenes
  • Molecules


Go to QuantumWise channel on YouTube to watch tutorial videos on how to use the Builder.

Analyze and view results


Dynamical analysis of data

  • Organized view of files
  • Movie tool for NEB trajectories
  • Electronic structure
  • Charge Density Plots
  • Grid operations
  • Effective potentials
  • Band structure analyzer
  • Density of states
  • Isosurfaces and plane projected plots
  • Charge density 1D projections


Try it, love it!

You can download Virtual NanoLab and ATK as one package for testing. 


Free license for academic users

If you work as an academic researcher at a university, high school, or similar (but not including government labs), you can obtain a free, perpetual license for Virtual NanoLab by signing up.


Free VNL does not include the VASP Scripter. For that, you must purchase a license. Prices start from €500. Read more about Virtual NanoLab as GUI for VASP.

The free academic VNL license also includes ATK-Classical, for performing molecular dynamics (MD) and other simulations using empirical potentials.
It does not include any capabilities for running DFT or semi-empirical electronic structure calculations using Atomistix ToolKit (ATK).

Industrial users

Perpetual licenses for Virtual NanoLab (VNL) is for academic users only. Industrial customers are adviced to ask a quote through our contact form.