KinBot

Automated reaction-pathway search tool that maps gas-phase chemical kinetics over potential energy surfaces.

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KinBot is a free, open-source scientific tool that automatically searches for reactions on a potential energy surface for gas-phase organic molecules, producing automated reaction pathways and kinetics for combustion and atmospheric chemistry research. It supports both traditional quantum-chemistry and machine-learning interatomic potential backends and is installable via PyPI or conda-forge. It targets computational chemists studying gas-phase reaction kinetics, and underlies a number of published research papers.

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