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Variational quantum algorithms exploit the features of superposition and entanglement to optimize a cost function efficiently by manipulating the quantum states. They are suitable for noisy intermediate-scale quantum (NISQ) computers that…

Quantum Physics · Physics 2023-08-29 Yunya Liu , Jiakun Liu , Jordan R. Raney , Pai Wang

Evaluating quantum algorithms at utility-scale - involving more than 100 qubits - is a key step toward advancing real-world applications of quantum computing. In this study, we benchmark seven state-of-the-art quantum emulators employing…

Quantum computing is a promising approach of computation that is based on equations from Quantum Mechanics. A simulator for quantum algorithms must be capable of performing heavy mathematical matrix transforms. The design of the simulator…

Emerging Technologies · Computer Science 2013-02-25 A. S. Tolba , M. Z. Rashad , M. A. El-Dosuky

Fusion simulations have traditionally required the use of leadership scale High Performance Computing (HPC) resources in order to produce advances in physics. The impressive improvements in compute and memory capacity of many-GPU compute…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-07-12 Emily A. Belli , Jeff Candy , Igor Sfiligoi , Frank Würthwein

Recent advances in quantum computing have brought us closer to realizing the potential of this transformative technology. While significant strides have been made in quantum error correction, many challenges persist, particularly in the…

Quantum Physics · Physics 2025-12-03 Mateusz Meller , Vendel Szeremi , Oliver Thomson Brown

We present Benchpress, a benchmarking suite for evaluating the performance and range of functionality of multiple quantum computing software development kits. This suite consists of a collection of over $1000$ tests measuring key…

Quantum computing resources are among the most promising candidates for extending the computational capabilities of High-Performance Computing (HPC) systems. As a result, HPC-quantum integration has become an increasingly active area of…

Quantum Computers offer an intriguing challenge in modern Computer Science. With the inevitable physical limitations to Moore's Law, quantum hardware provides avenues to solve grander problems faster by utilizing Quantum Mechanical…

Emerging Technologies · Computer Science 2024-07-17 Samuel T. Bieberich , Ketan C. Maheshwari , Sean R. Wilkinson , Prasanna Date , In-Saeng Suh , Rafael Ferreira da Silva

Quantum computing promises to revolutionize several scientific and technological domains through fundamentally new ways of processing information. Among its most compelling applications is digital quantum simulation, where quantum computers…

Quantum Physics · Physics 2026-02-05 Laurin E. Fischer

We present a composable design scheme for the development of hybrid quantum/classical algorithms and workflows for applications of quantum simulation. Our object-oriented approach is based on constructing an expressive set of common data…

This work describes the theoretical foundation for all quantum chemistry functionality in PennyLane, a quantum computing software library specializing in quantum differentiable programming. We provide an overview of fundamental concepts in…

Population pharmacokinetic/pharmacodynamic (PK/PD) modeling traditionally relies on classical ordinary differential equations to simulate drug dynamics. In this work, we reformulate a compartmental PK/PD model as an open quantum system and…

Machine Learning · Computer Science 2026-05-12 Isshaan Singh , Nandan Patel

For quantum computing (QC) to emerge as a practically indispensable computational tool, there is a need for quantum protocols with an end-to-end practical applications -- in this instance, fluid dynamics. We debut here a high performance…

Quantum Physics · Physics 2023-12-05 Sachin S. Bharadwaj , Katepalli R. Sreenivasan

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for computing ground state energies of molecular systems. We implement VQE to calculate the potential energy surface of the hydrogen molecule (H$_2$) across…

Quantum Physics · Physics 2026-01-16 Rylan Malarchick , Ashton Steed

Quantum machine learning is one of the fields where quantum computers are expected to bring advantages over classical methods. However, the limited size of current computers restricts the exploitation of the full potential of quantum…

Quantum Physics · Physics 2025-11-10 Juan C. Boschero , Ward van der Schoot , Niels M. P. Neumann

This work studies the porting and optimization of the tensor network simulator QTensor on GPUs, with the ultimate goal of simulating quantum circuits efficiently at scale on large GPU supercomputers. We implement NumPy, PyTorch, and CuPy…

Quantum Physics · Physics 2022-04-14 Danylo Lykov , Angela Chen , Huaxuan Chen , Kristopher Keipert , Zheng Zhang , Tom Gibbs , Yuri Alexeev

Quantum computing resources are increasingly being incorporated into high-performance computing (HPC) environments as co-processors for hybrid workloads. To support this paradigm, quantum devices must be treated as schedulable first-class…

Efficiently solving large-scale sparse linear systems poses a significant challenge in computational science, especially in fields such as physics, engineering, machine learning, and finance. Traditional classical algorithms face…

Quantum Physics · Physics 2024-10-04 Hakikat Singh

Recently, constant-depth quantum circuits are proved more powerful than their classical counterparts at solving certain problems, e.g., the two-dimensional (2D) hidden linear function (HLF) problem regarding a symmetric binary matrix. To…

Quantum Physics · Physics 2021-03-02 Shihao Zhang , Jiacheng Bao , Yifan Sun , Lvzhou Li , Houjun Sun , Xiangdong Zhang

Parallel computing using accelerators has gained widespread research attention in the past few years. In particular, using GPUs for general purpose computing has brought forth several success stories with respect to time taken, cost, power,…