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AMS Modules

Electronic Structure

ADF: molecular DFT Periodic DFT DFTB & MOPAC

Interatomic Potentials

ReaxFF ML Potentials Force Fields

Kinetics

kMC and Microkinetics Bumblebee: OLEDs

Macroscale

COSMO-RS

Application Areas

Research Topics

Batteries Biotechnology Bonding Analysis Catalysis Heavy Elements Inorganic Chemistry Materials Science Nanoscience Oil & Gas OLEDs Perovskites Polymers Semiconductors Spectroscopy

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Tools

Workflows

Active Learning Conformers OLED Deposition & Properties Reaction analysis Reaction discovery

AMS Driver

Molecular Dynamics Monte Carlo PES Exploration Properties QM/MM

Python Utilities

ParAMS PLAMS pyZacros

Interfaces

GUI VASP Parametrization

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