A fully open-source kinetic Monte Carlo (kMC) simulator for materials deposition, annealing, and memristive device modeling
Kinetix is a Python-based, license-free simulation framework that enables atomic-scale modeling of:
- Material deposition (e.g., fcc metals),
- Vacuum annealing of deposited films, and
- Resistive switching in redox- and filamentary-type memristors.
Built entirely on free and open-source software, Kinetix integrates seamlessly with:
- pymatgen – to fetch crystal structures from the Materials Project,
- gmsh – for automated 3D mesh generation,
- DOLFINx (part of the FEniCS Project) – to solve the Poisson equation for electrostatics,
- MPI + OpenMP – for hybrid parallelization (MPI via DOLFINx, OpenMP for lattice operations).
Kinetix aims to bridge materials science and device physics by providing a transparent, modular, and accessible platform for multiscale simulation of emerging electronic devices, ideal for research in neuromorphic computing, memristors, and thin-film processing.