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Related papers: Quantum computational chemistry

200 papers

Numerous reports claim that quantum advantage, which should emerge as a direct consequence of the advent of quantum computers, will herald a new era of chemical research because it will enable scientists to perform the kinds of quantum…

Quantum Physics · Physics 2020-09-29 V. E. Elfving , B. W. Broer , M. Webber , J. Gavartin , M. D. Halls , K. P. Lorton , A. Bochevarov

Quantum Computing is an exciting field that draws from information theory, computer science, mathematics, and quantum physics to process information in fundamentally new ways. There is an ongoing race to develop practical quantum computers…

Physics Education · Physics 2023-05-16 Tunde Kushimo , Beth Thacker

In this introductory review, we focus on applications of quantum computation to problems of interest in physics and chemistry. We describe quantum simulation algorithms that have been developed for electronic-structure problems,…

Quantum Physics · Physics 2014-04-16 Man-Hong Yung , James D. Whitfield , Sergio Boixo , David G. Tempel , Alán Aspuru-Guzik

Quantum computing, leveraging quantum phenomena like superposition and entanglement, is emerging as a transformative force in computing technology, promising unparalleled computational speed and efficiency crucial for engineering…

Quantum Physics · Physics 2024-08-30 Osama Muhammad Raisuddin , Suvranu De

Quantum computing exposes the brilliance of quantum mechanics through computer science and, as such, gives oneself a marvelous and exhilarating journey to go through. This article leads along that journey with a historical and current…

Popular Physics · Physics 2024-03-18 Robert Kudelić

Chemistry and materials science are widely regarded as potential killer application fields for quantum hardware. While the dream of unlocking unprecedented simulation capabilities remains compelling, quantum algorithm development must adapt…

Quantum Physics · Physics 2026-03-20 Davide Castaldo , Markus Reiher

Quantum computers can in principle solve certain problems exponentially more quickly than their classical counterparts. We have not yet reached the advent of useful quantum computation, but when we do, it will affect nearly all scientific…

Quantum computing is an emerging paradigm with the potential to offer significant computational advantage over conventional classical computing by exploiting quantum-mechanical principles such as entanglement and superposition. It is…

Emerging Technologies · Computer Science 2021-09-23 Sukhpal Singh Gill , Adarsh Kumar , Harvinder Singh , Manmeet Singh , Kamalpreet Kaur , Muhammad Usman , Rajkumar Buyya

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

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

Molecular science is governed by the dynamics of electrons, atomic nuclei, and their interaction with electromagnetic fields. A reliable physicochemical understanding of these processes is crucial for the design and synthesis of chemicals…

Quantum Physics · Physics 2022-03-21 Hongbin Liu , Guang Hao Low , Damian S. Steiger , Thomas Häner , Markus Reiher , Matthias Troyer

Quantum computing is a new computational paradigm with the potential to solve certain computationally challenging problems much faster than traditional approaches. Civil engineering encompasses many computationally challenging problems,…

Emerging Technologies · Computer Science 2024-03-29 Joern Ploennigs , Markus Berger , Martin Mevissen , Kay Smarsly

The advent of hybrid computing platforms consisting of quantum processing units integrated with conventional high-performance computing brings new opportunities for algorithm design. By strategically offloading select portions of the…

The concept of quantum computing has inspired a whole new generation of scientists, including physicists, engineers, and computer scientists, to fundamentally change the landscape of information technology. With experimental demonstrations…

It is expected that quantum computers would enable solving various problems that are beyond the capabilities of the most powerful current supercomputers, which are based on classical technologies. In the last three decades, advances in…

Quantum Physics · Physics 2022-04-01 A. K. Fedorov , N. Gisin , S. M. Beloussov , A. I. Lvovsky

Studies of strongly nonlinear dynamical systems such as turbulent flows call for superior computational prowess. With the advent of quantum computing, a plethora of quantum algorithms have demonstrated, both theoretically and…

Quantum Physics · Physics 2025-04-30 Sachin S. Bharadwaj , Katepalli R. Sreenivasan

Quantum computers, if fully realized, promise to be a revolutionary technology. As a result, quantum computing has become one of the hottest areas of research in the last few years. Much effort is being applied at all levels of the system…

Quantum Physics · Physics 2019-10-30 Salonik Resch , Ulya R. Karpuzcu

Quantum computers promise to surpass the most powerful classical supercomputers when it comes to solving many critically important practical problems, such as pharmaceutical and fertilizer design, supply chain and traffic optimization, or…

Computation · Statistics 2022-04-05 Anna Lopatnikova , Minh-Ngoc Tran , Scott A. Sisson

Accurate models for open quantum systems -- quantum states that have non-trivial interactions with their environment -- may aid in the advancement of a diverse array of fields, including quantum computation, informatics, and the prediction…

In the decades, the general field of quantum computing has experienced remarkable progress since its inception. A plethora of researchers not only proposed quantum algorithms showing the power of quantum computing but also constructed the…

Databases · Computer Science 2024-05-22 Gongsheng Yuan , Yuxing Chen , Jiaheng Lu , Sai Wu , Zhiwei Ye , Ling Qian , Gang Chen