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Quantum computers have demonstrated utility in simulating quantum systems beyond brute-force classical approaches. As the community builds on these demonstrations to explore using quantum computing for applied research, algorithms and…

We demonstrate the feasibility of quantum computing for large-scale, realistic chemical systems through the development of a new interface using a quantum circuit simulator and CP2K, a highly efficient first-principles calculation software.…

Chemical Physics · Physics 2025-06-24 Tomoya Shiota , Klaas Gunst , Toshio Mori , Toru Shiozaki , Wataru Mizukami

Tasked with the challenge to build better and better computers, quantum computing and classical computing face the same conundrum: the success of classical computing systems. Small quantum computing systems have been demonstrated, and…

Quantum Physics · Physics 2014-08-05 Rodney Van Meter

Natural language processing (NLP) problems are ubiquitous in classical computing, where they often require significant computational resources to infer sentence meanings. With the appearance of quantum computing hardware and simulators, it…

Quantum Physics · Physics 2020-10-09 Lee J. O'Riordan , Myles Doyle , Fabio Baruffa , Venkatesh Kannan

Quantum processing unit (QPU) has to satisfy highly demanding quantity and quality requirements on its qubits to produce accurate results for problems at useful scales. Furthermore, classical simulations of quantum circuits generally do not…

Emerging Technologies · Computer Science 2022-07-05 Wei Tang , Margaret Martonosi

The technology of Quantum Computing (QC) is continuously evolving, as researchers explore new technologies and the public gains access to quantum computers with an increasing number of qubits. In addition, the research community and…

High-performance computing (HPC) has evolved over decades through multiple architectural transitions, from vector supercomputers to massively parallel CPU clusters and GPU-accelerated systems, continuously expanding the frontier of…

Quantum Physics · Physics 2026-04-23 Suman Raj , Siva Sai , Yogesh Simmhan , Kyle Chard , Rajkumar Buyya

Compilation and optimization of quantum circuits are critical components in the execution of algorithms on quantum computers. These components must successfully balance two competing priorities: minimizing the number of expensive resources,…

The computation of electronic structure properties at the quantum level is a crucial aspect of modern physics research. However, conventional methods can be computationally demanding for larger, more complex systems. To address this issue,…

Quantum Physics · Physics 2023-12-05 Nouhaila Innan , Muhammad Al-Zafar Khan , Mohamed Bennai

This PhD thesis explores the potential of quantum computing to address computational challenges in high-energy physics (HEP). As the Standard Model (SM) leaves key questions unanswered and no signs of new physics have emerged since the…

Quantum Physics · Physics 2025-12-02 Jorge J. Martínez de Lejarza

Quantum computing promises potential for science and industry by solving certain computationally complex problems faster than classical computers. Quantum computing systems evolved from monolithic systems towards modular architectures…

Quantum Physics · Physics 2023-08-15 Nishant Saurabh , Shantenu Jha , Andre Luckow

Achieving high-quality solutions faster than classical solvers on computationally hard problems is a challenge for quantum optimization to deliver utility. Using a superconducting quantum computer, we experimentally investigate the…

The prospects of quantum computing have driven efforts to realize fully functional quantum processing units (QPUs). Recent success in developing proof-of-principle QPUs has prompted the question of how to integrate these emerging processors…

Emerging Technologies · Computer Science 2015-12-10 Keith A. Britt , Travis S. Humble

In the expanding field of Quantum Computing (QC), efficient and seamless integration of QC and high performance computing (HPC) elements (e.g., quantum hardware, classical hardware, and software infrastructure on both sides) plays a crucial…

Quantum Physics · Physics 2023-09-08 Philipp Seitz , Amr Elsharkawy , Xiao-Ting Michelle To , Martin Schulz

Achieving a practical quantum advantage for near-term applications is widely expected to rely on hybrid classical-quantum algorithms. To deliver this practical advantage to users, high performance computing (HPC) centers need to provide a…

This paper presents a comprehensive software stack architecture for integrating quantum computing (QC) capabilities with High-Performance Computing (HPC) environments. While quantum computers show promise as specialized accelerators for…

The purpose of this paper is to explore the applications of quantum computing to energy systems optimization problems and discuss some of the challenges faced by quantum computers with techniques to overcome them. The basic concepts…

Quantum Physics · Physics 2020-03-03 Akshay Ajagekar , Fengqi You

Dedicated research into the design and construction of a large scale Quantum Information Processing (QIP) system is a complicated task. The design of an experimentally feasible quantum processor must draw upon results in multiple fields;…

Quantum Physics · Physics 2017-04-20 Simon J. Devitt , Austin G. Fowler , Todd Tilma , W. J. Munro , Kae Nemoto

We address the question of how a quantum computer can be used to simulate experiments on quantum systems in thermal equilibrium. We present two approaches for the preparation of the equilibrium state on a quantum computer. For both…

Quantum Physics · Physics 2009-10-31 Barbara M. Terhal , David P. DiVincenzo