OpenFerro Documentation

OpenFerro is a Python package for on-lattice atomistic dynamics simulation. Built on JAX, OpenFerro provides a high-performance framework for simulating lattice Hamiltonian models with GPU acceleration and auto-differentiation capabilities.

Key Features

GPU Support: Highly efficient for large-scale simulations with multi-GPU parallelization
Auto-differentiable: Native support for enhanced sampling and Hamiltonian optimization
Modular Design: Easy implementation of new interaction terms without deep codebase knowledge
Flexible Architecture: Supports simultaneous simulation of R^n and SO(3) local order parameters

Getting Started

Theory

Use OpenFerro

Others

Examples

Check the examples/ directory for various simulation examples:

BaTiO3 cooling simulation
bcc Fe heating
Simple cubic Ising model
PbTiO3/SrTiO3 superlattice

Contributing

OpenFerro is open source under the MIT license. Contributions are welcome!

Source Code: https://github.com/salinelake/OpenFerro
Issue Tracker: https://github.com/salinelake/OpenFerro/issues

License

This project is licensed under the MIT License.

Contents: