AMS2019 released: ReaxFF fitting, polymers, AMS with GFN1-xTB & MOPAC

We are proud to announce the new major release of the Amsterdam Modeling Suite, AMS2019, containing many new powerful capabilities through the AMS driver.
Set up advanced PES explorations such as accelerated MD, molecule gun, heat transport, and GCMC with any of the AMS engines, including a new fast MOPAC library and the new GFN1-xTB method.

AMS2019 features nice new polymer functionality: including a polymer builder and thermodynamic predictions with COSMO-RS.

The new ADFtrain and rxffutil tools will make your life easier for ReaxFF parametrization.

Check out the AMS2019 Release Notes


Key concepts