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This article summarizes recent updates to the p$^\dagger$q package, which is a C++ accelerated Python library for generating equations and computer code corresponding to singly-reference many-body quantum chemistry methods such as…

Quantum computing, an innovative computing system carrying prominent processing rate, is meant to be the solutions to problems in many fields. Among these realms, the most intuitive application is to help chemical researchers correctly…

Quantum Physics · Physics 2022-12-29 Qingchun Wang , Huan-Yu Liu , Qing-Song Li , Jianyu Zhao , Qiankun Gong , Ye Li , Yu-Chun Wu , Guo-Ping Guo

Many research directions in machine learning, particularly in deep learning, involve complex, multi-stage experiments, commonly involving state-mutating operations acting on models along multiple paths of execution. Although machine…

Software Engineering · Computer Science 2020-06-16 Michela Paganini , Jessica Zosa Forde

Quantum computing with qudits, an extension of qubits to multiple levels, is a research field less mature than qubit-based quantum computing. However, qudits can offer some advantages over qubits, by representing information with fewer…

Quantum Physics · Physics 2025-06-02 Tiago de Souza Farias , Lucas Friedrich , Jonas Maziero

qcombo is a Python package for the symbolic evaluation of commutators between general quantum many-body operators expressed in normal-ordered form using the generalized Wick theorem. The package provides an automated and systematic…

Nuclear Theory · Physics 2026-03-26 L. H. Chen , Y. Li , H. Hergert , J. M. Yao

We describe QGLAB, a new MATLAB package for analyzing partial differential equations on quantum graphs. The software is built on the existing, object-oriented MATLAB directed-graph class, inheriting its structure and adding additional…

Numerical Analysis · Mathematics 2024-11-08 Roy H. Goodman , Grace Conte , Jeremy L. Marzuola

We present lambeq, the first high-level Python library for Quantum Natural Language Processing (QNLP). The open-source toolkit offers a detailed hierarchy of modules and classes implementing all stages of a pipeline for converting sentences…

We present a software package DiracQ, for use in quantum many-body Physics. It is designed for helping with typical algebraic manipulations that arise in quantum Condensed Matter Physics and Nuclear Physics problems, and also in some…

Strongly Correlated Electrons · Physics 2026-01-16 John G. Wright , B. Sriram Shastry

We introduce ProjectQ, an open source software effort for quantum computing. The first release features a compiler framework capable of targeting various types of hardware, a high-performance simulator with emulation capabilities, and…

Quantum Physics · Physics 2018-02-01 Damian S. Steiger , Thomas Häner , Matthias Troyer

We present QDK/Chemistry, a software toolkit for quantum chemistry workflows targeting quantum computers. The toolkit addresses a key challenge in the field: while quantum algorithms for chemistry have matured considerably, the…

We present the TRIQS library, a Toolbox for Research on Interacting Quantum Systems. It is an open-source, computational physics library providing a framework for the quick development of applications in the field of many-body quantum…

Strongly Correlated Electrons · Physics 2016-09-12 Olivier Parcollet , Michel Ferrero , Thomas Ayral , Hartmut Hafermann , Igor Krivenko , Laura Messio , Priyanka Seth

Fault-tolerant quantum computation promises to solve outstanding problems in quantum chemistry within the next decade. Realizing this promise requires scalable tools that allow users to translate descriptions of electronic structure…

As the scale of quantum programs grows to match that of classical software, the nascent field of quantum software engineering must mature and tools such as debuggers will become increasingly important. However, developing a quantum debugger…

Quantum Physics · Physics 2024-06-27 Sara Ayman Metwalli , Rodney Van Meter

QC Lab is an open-source Python package for QC dynamics simulations aimed to promote the development of QC algorithms, and their application to a wide variety of relevant model problems. It follows a modular design that facilitates…

Chemical Physics · Physics 2025-10-28 Alex Krotz , Ethan Byrd , Ken Miyazaki , Roel Tempelaar

Quantum computer provides new opportunities for quantum chemistry. In this article, we present a versatile, extensible, and efficient software package, named Q$^2$Chemistry, for developing quantum algorithms and quantum inspired classical…

Quantum Physics · Physics 2023-01-18 Yi Fan , Jie Liu , Xiongzhi Zeng , Zhiqian Xu , Honghui Shang , Zhenyu Li , Jinlong Yang

Distributed quantum computing (DQC) is a promising proposal for overcoming the scalability challenges of quantum computing. However, the evaluation of DQC hardware and software is difficult due to the relative dearth of classical simulation…

Quantum Physics · Physics 2026-04-16 Kenny Campbell

We present an introduction to the Quantum Toolbox in Python (QuTiP) in the context of an undergraduate quantum mechanics class and potential senior research projects. QuTiP provides ready-to-use definitions of standard quantum states and…

Physics Education · Physics 2019-10-01 Andrew M. C. Dawes

Automatic differentiation represents a paradigm shift in scientific programming, where evaluating both functions and their derivatives is required for most applications. By removing the need to explicitly derive expressions for gradients,…

Chemical Physics · Physics 2022-06-29 Muhammad F. Kasim , Susi Lehtola , Sam M. Vinko

We introduce QCLAB, an object-oriented MATLAB toolbox for constructing, representing, and simulating quantum circuits. Designed with an emphasis on numerical stability, efficiency, and performance, QCLAB provides a reliable platform for…

Quantum Physics · Physics 2025-03-06 Sophia Keip , Daan Camps , Roel Van Beeumen

Simulation is essential for developing quantum hardware and algorithms. However, simulating quantum circuits on classical hardware is challenging due to the exponential scaling of quantum state space. While factorized tensors can greatly…

Quantum Physics · Physics 2021-12-21 Taylor L. Patti , Jean Kossaifi , Susanne F. Yelin , Anima Anandkumar
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