This is technical documentation. See also:
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Pricing & Free trial
OldReaxFF
Installation
Windows
Linux
MacOS
Package manager
Install optional components
Tutorials
Getting started
All tutorials
AMS Driver
Geometry and System
Geometry Optimization
Transition State Search
Linear Transit, PES Scan
Nudged Elastic Band (NEB)
PES Exploration
Molecular Dynamics
Vibrational Spectroscopy
Engines Summary
Engines
ADF
Molecular DFT
BAND
Periodic DFT
Quantum ESPRESSO
Periodic DFT
DFTB
Semi-Empirical
MOPAC
Semi-Empirical
ML Potential
Machine Learning potentials
ReaxFF
Reactive Force Field
ForceField
AMBER, UFF, APPLE&P...
GFNFF
Force Field
Hybrid
QM/MM and mixed methods
ASE engine
Use any ASE calculator
Meso/Macro
COSMO-RS
Thermodynamic properties of fluids
Bumblebee
OLED device modeling
Microkinetics
Zacros
Kinetic Monte Carlo
Tools
GUI
Graphical User Interface
ParAMS
Parametrization tool
Simple Active Learning
On-the-fly training of ML
OLED Deposition and Properties
Multiscale OLED modeling
Reactions Discovery
Automatic reaction-discovery workflow
ACE Reaction Network
Generation of reaction networks
Conformers
MD Trajectory Analysis
ChemTraYzer2
Detect reactions from MD simulations
Utilities
Various utility tools
Scripting
PLAMS
Python Library for Automating Molecular Simulations
amspython
Python stack shipped with AMS
pyCRS
Python Scripting with COSMO-RS
SCM Base Library
Python library with core modules
reactmap
Atom mapping between reactants and products
Command-line tools
ASE calculator
pyZacros
Python Library Zacros (Kinetic Monte Carlo)
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Versions
AMS2026.1
AMS2026.1
Other versions
Index
