qflux 0.1.0

qflux is a package for running quantum dynamics calculations on quantum devices.

QFlux - A Quantum Computer Dynamics Package

This repository contains various protocols for performing quantum dynamics simulations with quantum devices. Each submodule contains object implementations for these protocols as demonstrated in a publication, as well as comprehensive tutorial notebooks designed to help users understand, implement and build upon various simulation techniques for studying quantum dynamics using quantum computer frameworks. Each tutorial is provided in Python, using Jupyter Notebooks to offer detailed explanations in both markdown and code comments.

Table of Contents

1. Getting Started
   • Documentation
   • Notebooks For Tutorial Manuscript
   • Additional Repositories
2. Contribution Guidelines
3. Citation
4. License
5. Acknowledgements

Getting Started

qflux can be installed via pip:

pip install qflux

To get started, one can simply select a notebook and execute them locally or in google collab. Necessary dependencies will be installed using pip.

If using uv through the commandline, use the following syntax to create and activate a virtual environment:

uv venv
source .venv/bin/activate

The necessary packages, including development, can be installed as follows:

uv pip install -e ".[dev]"

Documentation

Documentation for QFlux, illustrating its features and representative examples, is available at the following page:

https://qflux.batistalab.com/

Notebooks For Tutorial Manuscript

• Classical Foundations for Quantum Dynamics Simulations - Building Intuition and Computational Workflows

• Quantum Circuit Implementations of Molecular Dynamics - Closed Quantum Systems

• Quantum Circuit Implementations of Molecular Dynamics - State Initialization and Unitary Decomposition

• Dilation Method for Open Quantum Systems

• Adaptive Variational Quantum Algorithms

• The Generalized Quantum Master Equation

Contribution Guidelines

To contribute to the repository, follow the procedure outlined in the Contribution Guidelines markdown file.

Additional Repositories

This section includes additional repositories with functionality that has been integrated within QFlux.

| Spin Chain Tutorial Repository

| QMAD Repository

| GQME Tutorial Repository

Citation

Please cite the preprints of our work when using this code until the journal version becomes available.

Licensing

Each notebook or repository might have its own licensing. Please refer to the individual README files and notebooks within each directory for specific licensing information.

Acknowledgement

We acknowledge the financial support of the National Science Foundation under award number 2124511, CCI Phase I: NSF Center for Quantum Dynamics on Modular Quantum Devices (CQD-MQD).