- ADF (Amsterdam Density Functional)
A DFT program particularly strong in understanding and predicting structure, reactivity, and spectra of molecules.
- Treat part of the atoms quantum-mechanically (QM) and the other ones by molecular mechanics (MM).
- SCM’s standalone version of the reactive force field approach developed by Prof. Adri van Duin and coworkers.
- AMS driver
The new driver program introduced in the 2018 release of the Amsterdam Modeling Suite.
- BAND is an atomic-orbital based DFT program for periodic systems.
- DFTB (Density-Functional based Tight-Binding) is a fast approximate DFT.
- AMS version of the reactive force field approach developed by Prof. Adri van Duin and coworkers.
- UFF (Universal Forcefield) is a molecular mechanics program for the full periodic table.
- MOPAC is a general-purpose semiempirical molecular orbital package.
- Use ADF as an AMS engine.
- The Graphical User Interface.
- COSMO-RS (COnductor like Screening MOdel for Realistic Solvents) is a program for calculating thermodynamic properties of (mixed) fluids.
- QUILD (Quantum-regions Interconnected by Local Descriptions) enables calculations for multi-level approaches.
- 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.