AMS2026 Release notes

AMS2026 is here, bringing powerful new advancements in machine learning potentials, simulation workflows, and usability. With expanded chemical coverage and improved performance, it’s easier than ever to run automated, reproducible research. Upgrade now and see the difference.

Free trial Upgrade

ML Potentials: Coverage and Performance

New model families (eSEN, MACE, UMA), trained on large datasets, extend the applicability of ML potentials while improving efficiency and accuracy.

Extended coverage includes:

  • Charged and magnetic molecules
  • Biomolecules and polymers
  • Metal complexes and catalytic interfaces
  • MOFs and molecular crystals
  • Inorganic materials

Performance improvements:

These capabilities support a range of workflows, including:

Ml potentials ams 2026

ADF

New functionality has been added to support a wider range of electronic structure and spectroscopic applications:

Ams2026 adf qmfq

OLED and Multiscale Workflows

Updates to OLED workflows improve integration with OLED device modeling (Bumblebee) and analysis capabilities:

Ams2026 bumblebee gui new

Graphical User Interface

The GUI has been updated to simplify model setup and system construction:

  • New structure builders (nanoparticles, nanotubes, micro-solvation)
  • More compact and streamlined menus
  • Improvements to AMSview and visualization tools

These updates aim to make common tasks more efficient while maintaining flexibility.

Ams2026 builder gui

COSMO-RS

New tools have been introduced for modeling complex mixtures:

Ams2026 cosmo rs phase stability

AMS Driver & MD

The AMS driver has been updated to provide more control and robustness in simulations:

  • Fast, rigid PES scans (“non-optimizing mode”) without relaxing other degrees of freedom
  • Inclusion of Gibbs free energy in PES exploration

Improved molecular dynamics driver

Ams2026 gibbs energy catalysis

VASP Integration

VASP 6.4 is now supported as an external engine within AMS (not included in the Amsterdam Modeling Suite), enabling closer integration between workflows:

This integration supports materials modeling workflows within a unified environment.

Ams2026 gui f vasp

Python Examples and Scripting

The Python ecosystem has been expanded to improve usability and reproducibility.

Richer and more structured example library:

  • Reusable examples across engines and applications (ADF, COSMO-RS, Batteries, etc.)
  • Easier transition from GUI workflows to Python-based automation

Additional improvements include:

  • More accessible AMSPython scripting for a wide range of users
  • Support for automated and programmatic workflows
  • Compatibility with LLM-assisted scripting approaches
Ams2026 pythonexamples

Try out AMS2026 or upgrade your license?

New users: request a free trial.

If you already have an annual license for our software with an automatic license – just download a new binary. If your autolicense does not work, we need to update the version number, usually done within 2 working days.

To update your cluster license, contact [email protected], mentioning your user ID.

If you have an older perpetual license or would like to try out new modules, contact us for an upgrade quote or an evaluation license for 2026.