Whether you research spectroscopic properties, chemical processes, or advanced materials, we have the right tools for you. The Amsterdam Modeling Suite (AMS) provides a comprehensive set of modules for computational chemistry and materials science, from quantum mechanics to fluid thermodynamics.
- Easy installation with downloadable binaries for Windows, Mac, and Linux
- Graphical user interface to set up, run, monitor, visualize and analyze jobs
- Run jobs on your laptop, desktop PC or a high-performance computing cluster
- Python interface for advanced workflows, job management, and analysis
Try the complete Amsterdam Modeling Suite for 30 days for free. Enjoy expert technical support from our developers, also during your evaluation. Discover how the whole suite helps to advance your research, or just license the modules you need most.
Modules in the Amsterdam Modeling Suite
The Amsterdam Modeling Suite is used by researchers in companies, government labs, and universities in many different applications. Unsure about which modules may be appropriate for your research? Discuss your research question with us, or explore consulting options.
Other features of the Amsterdam Modeling Suite
The AMS Driver
The powerful AMS Driver is integrated with ADF, BAND, DFTB, MOPAC, and ReaxFF modules.
It helps you explore the potential energy surface of your system for molecules as well as periodic systems, for example through
- Geometry optimizations, with or without constraints
- Advanced potential energy surface scans
- Transition state searches, reaction barrier calculations
- Equilibrium and non-equilibrium molecular dynamics simulations
- Grand-Canonical Monte Carlo
- Vibrational normal modes and phonons
Hybrid and multi-layer calculations
Researchers can perform a larger variety of multi-layer calculations for molecules as well as for periodic systems with the hybrid engine. Any quantum mechanics and force field-based methods can be combined in any number of layers with mechanical embedding through a subtractive scheme. Electrostatic embedding through additive QM/MM is available for 2-layer systems with ADF, BAND or DFTB as the quantum mechanical region.
Python scripting with PLAMS
For high-throughput screening and workflows, we recommend the python library for automated molecular simulations, which is easily used with the entire Amsterdam Modeling Suite.
Parameter fitting for ReaxFF and DFTB
Quantum ESPRESSO graphical user interface
The graphical user interface supports setting up, running, and visualizing results for the open-source periodic density functional theory code Quantum ESPRESSO (see tutorials), which uses plane-wave basis sets and pseudopotentials. The interface to Quantum ESPRESSO is provided at no extra charge.
VASP graphical user interface
Simple support is provided for the commercial VASP code. You need to provide your own binary and VASP license.