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Developing intuition about quantum information theory problems is difficult, as is verifying or ruling-out of hypothesis. We present a Matlab package intended to provide the QIT community with a new and powerful tool-set for quantum…

Quantum Physics · Physics 2007-08-06 Shai Machnes

In this work, we present a software package in Python for high-throughput first-principles calculations of thermodynamic properties at finite temperatures, which we refer to as DFTTK (Density Functional Theory Tool Kit). DFTTK is based on…

Quantum information science and technology is a rapidly growing interdisciplinary field drawing researchers from science and engineering fields. Traditional instruction in quantum mechanics is insufficient to prepare students for research…

Physics Education · Physics 2016-02-23 Chandralekha Singh

Rapid advances in quantum computing technology lead to an increasing need for software simulators that enable both algorithm design and the validation of results obtained from quantum hardware. This includes calculations that aim at probing…

Quantum Physics · Physics 2025-01-09 Amit Jamadagni , Andreas M. Läuchli , Cornelius Hempel

Quantum transport has far-reaching applications in modern electronics as it enables the control of currents in nanoscale systems such as quantum dots. In this paper we introduce tinie: a state-of-the-art quantum transport simulation…

Mesoscale and Nanoscale Physics · Physics 2021-09-23 R. Duda , J. Keski-Rahkonen , J. Solanpää , E. Räsänen

Advances in high-throughput simulation (HTS) software enabled computational databases and big data to become common resources in materials science. However, while computational power is increasingly larger, software packages orchestrating…

Computational Physics · Physics 2023-12-22 Daniel Schwalbe-Koda

In text generation evaluation, many practical issues, such as inconsistent experimental settings and metric implementations, are often ignored but lead to unfair evaluation and untenable conclusions. We present CoTK, an open-source toolkit…

Computation and Language · Computer Science 2020-02-06 Fei Huang , Dazhen Wan , Zhihong Shao , Pei Ke , Jian Guan , Yilin Niu , Xiaoyan Zhu , Minlie Huang

The complexity is increasing rapidly in many areas of the automotive industry. The design of an automobile involves many different engineering disciplines, e. g., mechanical, electrical, and software engineering. The software of a vehicle…

Emerging Technologies · Computer Science 2021-03-15 Andre Luckow , Johannes Klepsch , Josef Pichlmeier

Quantum simulators are a promising technology on the spectrum of quantum devices from specialized quantum experiments to universal quantum computers. These quantum devices utilize entanglement and many-particle behaviors to explore and…

This paper introduces a vision for Quantum Software Development lifecycle, proposing a hybrid full-stack iterative model that integrates quantum and classical computing. Addressing the current challenges in Quantum Computing (QC) such as…

Software Engineering · Computer Science 2025-04-09 Arif Ali Khan , Davide Taibi , Muhammad Azeem Akbar

We present the TRIQS/DFTTools package, an application based on the TRIQS library that connects this toolbox to realistic materials calculations based on density functional theory (DFT). In particular, TRIQS/DFTTools together with TRIQS…

This report describes a variety of programming assignments that can be used to teach quantum computing in a practical manner. These assignments let the learners get hands-on experience with all stages of quantum software development…

Physics Education · Physics 2023-12-19 Mariia Mykhailova

ArQTiC is an open-source, full-stack software package built for the simulations of materials on quantum computers. It currently can simulate materials that can be modeled by any Hamiltonian derived from a generic, one-dimensional,…

Quantum Physics · Physics 2021-06-10 Lindsay Bassman , Connor Powers , Wibe A. de Jong

Research in software engineering is essential for improving development practices, leading to reliable and secure software. Leveraging the principles of quantum physics, quantum computing has emerged as a new computational paradigm that…

Software Engineering · Computer Science 2025-02-14 Ashis Kumar Mandal , Md Nadim , Chanchal K. Roy , Banani Roy , Kevin A. Schneider

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

Knowledge graphs (KGs) have become the preferred technology for representing, sharing and adding knowledge to modern AI applications. While KGs have become a mainstream technology, the RDF/SPARQL-centric toolset for operating with them at…

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

Quantum computing offers significant speedups for simulating physical, chemical, and biological systems, and for optimization and machine learning. As quantum software grows in complexity, the classical simulation of quantum computers,…

The development of quantum computing systems has been a staple of academic research since the mid-1990s when the first proposal for physical platforms were proposed using Nuclear Magnetic Resonance and Ion-Trap hardware. These first…

Quantum Physics · Physics 2023-08-01 Simon J. Devitt

Quantum algorithms, represented as quantum circuits, can be used as benchmarks for assessing the performance of quantum systems. Existing datasets, widely utilized in the field, suffer from limitations in size and versatility, leading…

Quantum Physics · Physics 2024-02-26 Boran Apak , Medina Bandic , Aritra Sarkar , Sebastian Feld