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 the 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
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.