Amsterdam Modeling Suite 2022 Products
Powerful molecular DFT to understand chemistry
Periodic DFT for nanotubes, surfaces, and bulk
Fast approximate DFT for molecules, 1D, 2D and 3D
Reactive MD with GUI and analysis tools
Fluid thermodynamics from quantum mechanics
Complex MD, MC, and PES tasks with any engine
Integrated GUI for easy set up & visualization
Optimize ReaxFF and DFTB parameters
Python scripting to streamline your workflows
New modules and capabilities in recent Amsterdam Modeling Suite releases
- ML Potential & ForceField machine learning potentials & non-reactive force fields (UFF, Amber, Tripos, GAFF, GFN-FF, Apple&P)
- Hybrid: multi-layer calculations with any periodicity and any number of layers + additive QM/MM with embedding
- ParAMS: Scripting + GUI interface for generating training data and optimizing ReaxFF and DFTB parameters
- Reaction rates and fluxes from reactive MD (ChemTraYzer2)
- Graphical and python interface for kinetic Monte Carlo (Zacros)
- Automatic reaction mapping: ACE-Reaction & reactmap (Python only)
- PES exploration and refinement (EON)
- Conformer module, including CREST (Python)
- Workflows to deposit molecules & average properties for multiscale device-level modeling
User support email addresses
At SCM, we strive to make computational chemistry work for you. The tutorials, manuals, and FAQs are great resources to help you advance your research with the Amsterdam Modeling Suite. If you run into any problem or have technical questions, please contact us, so that our expert software developers can resolve your issues.
| support@scm.com | For technical questions or problems by users. Attach relevant files & licensee information |
| license@scm.com | For license information or problems |
| info@scm.com | For general and scientifically oriented questions |
| AMS discussion list | Discussion list for AMS users and developers |
Extended Support, Research Consulting
Our experienced team takes pride in providing the best possible technical support, which is widely appreciated and praised by our users. However, some problems go far beyond simple technical support requests: maybe you would like to get a bit more scientific advice or get new functionality implemented with high priority.
We aim to help you on any possible issue with our software to the best of our abilities. However, due to limited time sometimes we need to defer users with complex scientific questions to other offers, ranging from custom-tailored tutoring to fully outsourced research projects. Kindly check out how SCM’s Consulting and Contract Research can help you further.
Additional documentation
- Installation manual – see also the trial installation videos
- GUI tutorials
- Hardware Q&A summary on the best hardware set up for you
- FAQs
- GUI for Quantum ESPRESSO
- Bug fixes since last sub-release
- Selected new features in development version: trunk changelog
- NBO 6 (Original PDF by Weinhold, Glendening)
- References to third party software
- Documentation for previous releases
- List of compounds in the COSMO-RS database solvents & small molecules and ionic liquids
- HPC benchmark input files for ADF
Workshops & teaching exercises
SCM staff and experienced AMS users give hands-on workshops a few times a year (general as well as on specific topics). Advanced worked out examples on specific features are available as teaching materials for computational chemistry courses.
Feature of interest missing?
We welcome any suggestions regarding new functionality. Perhaps we could pick up your suggestion for our next release!
Pricing & Licensing
License fees depend on which AMS modules you want to use, on how many CPU cores you want to run, and also the duration. See our pricing tables for academic license fees, or request a price quote. You are encouraged to try before you buy.