Graphical User Interface

Our graphical user interface (GUI) works out of the box with all the computational chemistry engines in the Amsterdam Modeling Suite. From generating complex models, choosing computational settings to running local or on remote clusters, our GUI supports you every step of  the way. Jobresults are automatically fetched and easily visualized be it a Molecular Orbital diagram, a large reactive MD trajectory or the perfomance of a fitted Machine Learning Potential.

Gui gui


  • Import and export of common geometry formats (xyz, pdb, cif,…)
  • Build molecules, periodic systems or polymers
  • Cross-platform job management and visualization
  • Molecular orbitals, densities and related properties, (p)DOS, band structures, spectra, movies
  • Seamless transition between periodic and cluster structures
  • Support for Quantum Espresso and VASP
  • Supports fitting of ReaxFF and DFTB parameters as well as diverse Machine Learning Potentials via ParAMS

Not sure what modeling tools you need for you research project?