AMS driver is a powerful central tool for complex potential energy tasks, such as molecular dynamics, Monte Carlo, PES scans, 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.
Tips & tricks for AMS2020 – how AMS can help speed up your ADF jobs
SCM’s expert Robert Rüger summarizes the AMS concept and shows how the AMS driver can help to speed up your calculations, including tips & tricks for a transition state search with ADF/DFTB.