We introduce Propaq, a performant and flexible Python package implementing Heisenberg propagation techniques for classically simulating quantum circuits. Propaq is compatible with major quantum software packages like Qiskit and Cirq, and matches or outperforms similar state-of-the-art packages for Heisenberg propagation. Beyond this, Propaq has multiple distinguishing features for simulation and research. These include Heisenberg propagation in any basis, hybrid Schrödinger-Heisenberg simulation, custom truncation and noisy simulation methods, and detailed logging information for analyzing simulation accuracy, runtime, and memory usage. We describe these features, how to use Propaq for research, and its backend implementation.
Comments
27 pages, 11 figures. Source code and documentation for Propaq is available at https://github.com/hkbelagali/propaq/
We introduce Propaq, a performant and flexible Python package implementing Heisenberg propagation techniques for classically simulating quantum circuits. Propaq is compatible with major quantum software packages like Qiskit and Cirq, and matches or outperforms similar state-of-the-art packages for Heisenberg propagation. Beyond this, Propaq has multiple distinguishing features for simulation and research. These include Heisenberg propagation in any basis, hybrid Schrödinger-Heisenberg simulation, custom truncation and noisy simulation methods, and detailed logging information for analyzing simulation accuracy, runtime, and memory usage. We describe these features, how to use Propaq for research, and its backend implementation.
We introduce QFlux, an open-source Python package for simulating quantum dynamics in chemical systems across multiple levels of theory using a unified classical and quantum computational framework. QFlux integrates deterministic wavefunction propagation, Lindblad master equations, generalized quantum master equations (GQMEs), operator-splitting techniques, and variational quantum algorithms within a modular architecture designed for systematic benchmarking and hybrid classical-quantum execution. The framework supports both closed-and open-system dynamics, including Markovian and non-Markovian regimes, and provides explicit mappings between classical propagators and quantum circuit constructions executable on NISQ hardware. Built atop established scientific and quantum software ecosystems, QFlux emphasizes reproducibility, interoperability, and controlled cross-validation between numerical approximations and hardware-oriented algorithms. Part I in this series of papers presents the theoretical foundations, software design principles, and methodological scope of QFlux, and positions it within the broader landscape of classical, tensor-network, and quantum-circuit-based simulation platforms. The series is designed to serve as a teaching reference for graduate students, a practical guide for researchers implementing custom quantum simulations, and a foundational reference for the broader QFlux ecosystem.
We introduce Mitiq, a Python package for error mitigation on noisy quantum computers. Error mitigation techniques can reduce the impact of noise on near-term quantum computers with minimal overhead in quantum resources by relying on a mixture of quantum sampling and classical post-processing techniques. Mitiq is an extensible toolkit of different error mitigation methods, including zero-noise extrapolation, probabilistic error cancellation, and Clifford data regression. The library is designed to be compatible with generic backends and interfaces with different quantum software frameworks. We describe Mitiq using code snippets to demonstrate usage and discuss features and contribution guidelines. We present several examples demonstrating error mitigation on IBM and Rigetti superconducting quantum processors as well as on noisy simulators.
We present a comprehensive study of quantum simulation methods and quantum simulators for classical computers. We first study an exhaustive set of 150+ simulators and quantum libraries. Then, we short-list the simulators that are actively maintained and enable simulation of quantum algorithms for more than 10 qubits. As a result, we realize that most efficient and actively maintained simulators have been developed after 2010. We also provide a taxonomy of the most important simulation methods, namely Schrodinger-based, Feynman path integrals, Heisenberg-based, and hybrid methods. We observe that most simulators fall in the category of Schrodinger-based approaches. However, there are a few efficient simulators belonging to other categories. We also make note that quantum frameworks form their own class of software tools that provide more flexibility for algorithm designers with a choice of simulators/simulation method. Another contribution of this study includes the use and classification of optimization methods used in a variety of simulators. We observe that some state-of-the-art simulators utilize a combination of software and hardware optimization techniques to scale up the simulation of quantum circuits. We summarize this study by providing a roadmap for future research that can further enhance the use of quantum simulators in education and research.
Test suite of quantum algorithms for Noisy Intermediate Scale Quantum (NISQ) computers. The test suite includes benchmark-style code for quantum volume circuits (QV), fairness sampling circuits, quantum telecloning circuits, and other NISQ benchmark style algorithms on small problems (i.e., up to 100 qubits), such as Variational Quantum Eigensolver (VQE), Hamiltonian Simulation, and Grover unstructured search example circuits. These benchmark-style applications are implemented in quantum software packages, mostly IBM's QISKIT, but may include vendor-specific frameworks, such as PyQuil (for Rigetti) or Q\# for Microsoft, or CirQ (for Google) as the test suite grows with the vendor sample. The test suite also includes numerical simulation code for Quantum Alternating Operator Ansatz (QAOA) algorithms, VQE, Hamiltonian Simulation and search examples. Numerical simulation code simulates quantum computers on classical computers, which is only possible for small problem instances; the implementation framework of choice is typically within Python, using the numpy/scipy libraries as well as extensions to the Julia language.
We present a new software package for efficient quantum circuit generation, designed to achieve optimal runtime performance. Despite being in an early stage of development, our implementation demonstrates significant advantages over existing tools. Using the quantum Fourier transform (QFT) as a benchmark, we show that our backend can generate circuits for systems with up to 2000 qubits faster than widely used frameworks such as Qiskit and Q#. This improvement is particularly relevant for applications where classical preprocessing time, including circuit generation, must be minimized to not diminish any potential quantum advantage - for example, in combinatorial optimization tasks. Additionally, our software provides high-level primitives for bit- and integer-level manipulations, offering a simplified interface for integration with high-level quantum programming languages.
We present qlbm , a Python software package designed to facilitate the development, simulation, and analysis of Quantum Lattice Boltzmann Methods (QBMs). qlbm is a modular framework that introduces a quantum component abstraction hierarchy tailored to the implementation of novel QBMs. The framework interfaces with state-of-the-art quantum software infrastructure to enable efficient simulation and validation pipelines, and leverages novel execution and pre-processing techniques that significantly reduce the computational resources required to develop quantum circuits. We demonstrate the versatility of the software by showcasing multiple QBMs in 2D and 3D with complex boundary conditions, integrated within automated benchmarking utilities. Accompanying the source code are extensive test suites, thorough online documentation resources, analysis tools, visualization methods, and demos that aim to increase the accessibility of QBMs while encouraging reproducibility and collaboration. Program summary Program Title: qlbm CPC Library link to program files: https://doi.org/10.17632/28hkvsg7p2.1 Developer's repository link: https://github.com/QCFD-Lab/qlbm Licensing provisions: MPL-2.0 Programming language: Python3 Supplementary material: The documentation of is available at https://qcfd-lab.github.io/qlbm/ . Nature of problem: The advent of quantum algorithms for computational fluid dynamics brings with it challenges that are new to the established field of computational physics. These challenges include the lack of standardized implementations of the still nascent quantum methods, the intense computational demands of developing and simulating quantum algorithms on hardware available today, and the absence of tools that integrate novel developments into established infrastructure. Because of these current limitations, physicists and mathematicians expend superfluous resources on tasks that more mature computational physics branches have surmounted long ago. Solution method: QLBM is a software package that provides an end-to-end development environment for quantum lattice Boltzmann methods. The modular design and flexible quantum circuit library provide a base for extending and generalizing quantum algorithms. Performance enhancements exploit the paradigm of quantum computing simulations to accelerate the speed at which researchers can verify the validity of their methods. Its integration with state-of-the-art quantum computing software and visualization tools increases the algorithms' accesibility. These features allow QLBM to effectively generate, simulate, and analyze quantum circuits for 2D and 3D computational fluid dynamics problems.