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I present libcommute, a C++11/14/17 template library that implements a domain-specific language for easy manipulating of polynomial operators used in the quantum many-body theory, as well as a software development toolkit for exact…

Computational Physics · Physics 2021-12-17 Igor Krivenko

The open source ALPS (Algorithms and Libraries for Physics Simulations) project provides a collection of physics libraries and applications, with a focus on simulations of lattice models and strongly correlated systems. The libraries…

In recent years, Quantum Computing (QC) has progressed to the point where small working prototypes are available for use. Termed Noisy Intermediate-Scale Quantum (NISQ) computers, these prototypes are too small for large benchmarks or even…

The advent of quantum algorithms has initiated a discourse on the potential for quantum speedups for optimization problems. However, several factors still hinder a practical realization of the potential benefits. These include the lack of…

To address the urgent need in the NISQ era for high-performance, scalable quantum compilers and to advance the integration of classical and quantum computing, we present QLLVM, an advanced Quantum-Classical co-compilation framework built on…

Quantum Physics · Physics 2026-04-17 Yu Zhu , Qiming Du , Yuqiong Jin , Woji He , Hang Lian , Xin Zhou , Jinchen Xu , Zheng Shan

Languages, compilers, and computer-aided design tools will be essential for scalable quantum computing, which promises an exponential leap in our ability to execute complex tasks. LIQUi|> is a modular software architecture designed to…

Quantum Physics · Physics 2014-02-20 Dave Wecker , Krysta M. Svore

The unique features of the hybrid quantum-classical computing model implied by the specification of OpenQASM 3.0 motivate new approaches to quantum program verification. We implement and thoroughly test a QASM 3.0 parser in TypeScript to…

Programming Languages · Computer Science 2025-09-24 Sean Kim , Marcus Edwards

With recent advances in the development of more powerful quantum computers, the research area of quantum software engineering is emerging, having the goal to provide concepts, principles, and guidelines to develop high-quality quantum…

Software Engineering · Computer Science 2021-06-18 Benjamin Weder , Johanna Barzen , Frank Leymann , Daniel Vietz

We introduce the Piquasso quantum programming framework, a full-stack open-source software platform for the simulation and programming of photonic quantum computers. Piquasso can be programmed via a high-level Python programming interface…

An ideal software system in computer graphics should be a combination of innovative ideas, solid software engineering and rapid development. However, in reality these requirements are seldom met simultaneously. In this paper, we present…

Graphics · Computer Science 2018-04-26 Yuanming Hu

Structure-based virtual screening must address a combinatorial explosion arising from up to 10^60 drug-like molecules, multiple conformations of proteins and ligands, and all possible spatial translations and rotations of ligands within the…

Quantum Physics · Physics 2025-05-14 Pei-Kun Yang

High throughput first-principles calculations, based on solving the quantum mechanical many-body problem for hundreds of materials in parallel, have been successfully applied to advance many materials-based technologies, from batteries to…

Materials Science · Physics 2023-04-28 Gabriele Losi , Omar Chehaimi , M. Clelia Righi

This paper presents a tool that simplifies quantum software development by unifying circuit design, code generation, and execution within a single cross-platform environment that supports iterative development. Implemented as open source,…

Recent progress in the realm of noisy, intermediate scale quantum (NISQ) devices represents an exciting opportunity for many-body physics, by introducing new laboratory platforms with unprecedented control and measurement capabilities. We…

Disordered Systems and Neural Networks · Physics 2021-09-24 Matteo Ippoliti , Kostyantyn Kechedzhi , Roderich Moessner , S. L. Sondhi , Vedika Khemani

Quantum algorithms for simulating large and complex molecular systems are still in their infancy, and surpassing state-of-the-art classical techniques remains an ever-receding goal post. A promising avenue of inquiry in the meanwhile is to…

Quantum Physics · Physics 2025-08-07 Soohaeng Yoo Willow , D. ChangMo Yang , Chang Woo Myung

As quantum computing advances from theoretical promise to experimental reality, the need for rigorous experiment tracking becomes critical. Drawing inspiration from best practices in machine learning (ML) and artificial intelligence (AI),…

Quantum Physics · Physics 2025-07-10 Mahee Gamage , Otso Kinanen , Jake Muff , Vlad Stirbu

Machine learning has emerged as a promising paradigm to study the quantum dissipative dynamics of open quantum systems. To facilitate the use of our recently published ML-based approaches for quantum dissipative dynamics, here we present an…

Chemical Physics · Physics 2024-03-19 Arif Ullah , Pavlo O. Dral

Quantum computing, albeit readily available as hardware or emulated on the cloud, is still far from being available in general regarding complex programming paradigms and learning curves. This vision paper introduces $Classi|Q\rangle$, a…

Software Engineering · Computer Science 2024-07-02 Matteo Esposito , Maryam Tavassoli Sabzevari , Boshuai Ye , Davide Falessi , Arif Ali Khan , Davide Taibi

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

The paradigm behind digital quantum computing inherits the idea of using binary information processing. Nature in fact gives much more rich structures of physical objects that can be used for encoding information, which is especially…

Quantum Physics · Physics 2025-06-04 Evgeniy O. Kiktenko , Anastasiia S. Nikolaeva , Aleksey K. Fedorov