- AMS driver
The driver program of the Amsterdam Modeling Suite.
- ADF (Amsterdam Density Functional)
- A DFT engine particularly strong in understanding and predicting structure, reactivity, and spectra of molecules.
- BAND is an atomic-orbital based DFT engine for periodic systems.
- DFTB (Density-Functional based Tight-Binding) is a fast approximate DFT engine.
- Reactive force field approach developed by Prof. Adri van Duin and coworkers.
- Machine learning potentials (machine learning force fields).
- ForceField engine, including UFF.
- Hybrid engine, for embedding and QM/MM calculations that combine multiple engines.
- MOPAC is a general-purpose semiempirical molecular orbital package.
- The Graphical User Interface.
- Old Standalone ReaxFF
- SCM’s standalone version of the reactive force field approach developed by Prof. Adri van Duin and coworkers.
- COSMO-RS (COnductor like Screening MOdel for Realistic Solvents) is a program for calculating thermodynamic properties of (mixed) fluids.
- The Amsterdam Modeling Suite includes several scripting environments, each with a specific scope and purpose.
- PLAMS (Python Library for Automating Molecular Simulation) is a collection of tools that aim at providing powerful, flexible and easily extendable Python interface to molecular modeling programs.
- ParAMS is a Python toolkit for the parameterization of AMS engines such as ReaxFF and DFTB.