AMS is a powerful driver for complex potential energy tasks, such as molecular dynamics, linear transits, and finding transition states.

The AMS driver can be used with the modules in the Amsterdam Modeling Suite; ADF, BAND, DFTB, MOPAC, ReaxFF, and UFF. Other programs can be used too and are accessed by the AMS driver as external compute engines. The AMS driver provides efficient and reliable implementations for common tasks like geometry optimization or transition state searches as well as more advanced modeling and simulation options like Grand Canonical Monte Carlo, force bias Monte Carlo, and the molecule gun. Complex PES exploration tasks are made easy by AMS, minimizing the effort for the user, improving the computational efficiency, and enabling high-throughput screening scripting workflows with PLAMS.

With AMS you can easily switch between computational engines, enabling workflows or high-throughput screening to gradually increase accuracy by switching from force fields to tight-binding to density functional theory codes.