eon

eOn is a distributed client-server architecture for rare event simulations, specifically designed for finding saddle points and exploring potential energy surfaces over long time scales. It implements methods such as Adaptive Kinetic Monte Carlo (AKMC), Nudged Elastic Band (NEB), and dimer searches. The core client is written in C++ for performance, while the server and Python interface manage the state. Learn more about it on its homepage or the github repository.

Finding Reaction Paths with eOn and a Metatomic Potential
This example describes how to find the reaction pathway for oxadiazole formation from N₂O and ethylene. We will use the PET-MAD metatomic model to calculate the potential energy and forces.
Finding Reaction Paths with eOn and a Metatomic Potential