Faster simulations of fermionic quantum circuits.
Project description
ffsim
Faster simulations of fermionic quantum circuits.
What is ffsim?
ffsim is a software library for simulating fermionic quantum circuits that preserve particle number and the Z component of spin. This category includes many quantum circuits used for quantum chemistry simulations. By exploiting the symmetries and using specialized algorithms, ffsim can simulate these circuits much faster than a generic quantum circuit simulator.
Experimental disclaimer: ffsim is currently an experimental release. Breaking changes may be introduced without warning.
Features
- Fast simulation of fermionic quantum circuits that preserve particle number and the Z component of spin. ffsim supports the simulation of basic fermionic gates and includes specialized routines for simulation of molecular Hamiltonians in the "double-factorized" representation.
- Compatible with PySCF. State vectors use the same indexing convention as PySCF's
fcimodule.
Limitations
- There is no support for operations that do not preserve particle number and the Z component of spin.
Installation
In the future, binary wheels will be made available on PyPI. For now, you can install from source.
Installing from source
Installing ffsim from source requires a Rust compiler to be present on the system. A Rust compiler can be installed by following the instructions here. Once the Rust compiler is installed, ffsim can be installed by running the command
pip install .
from the root directory of the code repository.
Installing from source has only been tested in a Linux environment.
Known issues
- It may be a bit tricky to get OpenBLAS to link successfully. If you have issues, try the following:
- Run
pip install patchelf. - Run
pip install -e .twice in a row.
- Run
Development
To set up ffsim for development, install it from source in editable mode along with the development requirements:
pip install -e ".[dev]"
If you add or modify any Rust modules, rebuild them by running the command
maturin develop --release
Tests and other code checks are managed using tox. To run the default tox environments, simply run
tox
To run a specific environment, for example, to run the lint checks, do
tox run -e lint
You can also use pytest to run the tests directly. For example,
pytest tests/
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