Welcome to the AMS Documentation 2026.1!

Getting started

Installation | Package manager

Tutorials | Graphical User Interface

AMS driver: AMS driver | Geometry and System

Engines: Overview

ADF | ASE engine | BAND | DFTB | ForceField | GFNFF | Hybrid (QM/MM)

ML Potential | MOPAC | Quantum ESPRESSO | ReaxFF | VASP

Common tasks

Single Point | Geometry Optimization | PES Scan | PES Exploration

Molecular Dynamics | Transition State Search | NEB | IRC | GCMC | Replay

Macroscale: COSMO-RS | Bumblebee | Microkinetics | Zacros

Python/scripting: Overview

Python Examples | PLAMS | amspython | Chemical System | Input Classes (PISA) | pyCRS

Command-line tools | SCM libbase | ASE calculator | pyZacros | reactmap

Workflows and tools

ParAMS | Simple Active Learning

OLED Deposition and Properties | Reactions Discovery | ACE Reaction Network

Conformers | MD Trajectory Analysis | ChemTraYzer2 | Utilities

Other links

Changelog | List of Acronyms, Abbreviations, and Special Terms

Third party software: See the file third-party-software.txt in the root of your AMS installation.

Documentation for other AMS versions

Previous versions, e.g. scm.com/doc.2022/*