Trotter-propagated Random Orbital Trajectories

An end-to-end differentiable Auxiliary Field Quantum Monte Carlo (AFQMC) code based on Jax.

Usage

The code can be installed as a package using pip:

  pip install .

For use on GPUs with CUDA, install as:

  pip install .[gpu]

CPU calculations are only parallelized with multithreading (no MPI).

This code is interfaced with pyscf for electronic integral evaluation. Examples can be found in the examples/ directory.