ZacrosTools

ZacrosTools automates the preparation, analysis, and visualization of kinetic Monte Carlo (KMC) simulations using the Zacros package.

Key Features:

• Input File Generation: Automates the generation of Zacros input files for KMC simulations.
• Data Processing: Extracts and processes simulation data from KMC outputs.
• Visualization: Provides multiple plotting functionalities for simulation results.
• Model Building: Supports construction of KMC models through a programmatic interface.

Scientific Applications:

• Kinetic Monte Carlo Simulation: Facilitates automated setup and analysis of KMC simulations for studying surface reaction kinetics and catalytic processes.

Methodology:

The library provides a Python interface for building KMC models, generating Zacros input files, extracting and processing simulation data, and visualizing results through plotting functions.