NanoLab is the Graphical User Interface (GUI) for QuantumATK and NanoLab Links works as a GUI for external simulation engines like VASP, QuantumEspresso, LAMMPS, GPAW.



You name the code, we name the GUI - 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 made it possible to use NanoLab as a GUI for various different codes. This way you can handle all your simulations in one platform.

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Examples of compatible codes

QuantumEspresso - Tutorials for using NanoLab as GUI for QuantumEspresso

LAMMPS - Tutorials for using NanoLab as GUI for LAMMPS

VASP - Read more about 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 NanoLab

What users love about 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

You can download QuantumATK as one package for testing.