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Molecular quantum simulations with the variational quantum eigensolver (VQE) rely on ansatz states that approximate the molecular ground states. These ansatz states are generally defined by parametrized fermionic excitation operators and an…

Quantum Physics · Physics 2021-01-04 Yordan S. Yordanov , David R. M. Arvidsson-Shukur , Crispin H. W. Barnes

The strong-coupling regime of cavity-quantum-electrodynamics (cQED) represents light-matter interaction at the fully quantum level. Adding a single photon shifts the resonance frequencies, a profound nonlinearity. cQED is a test-bed of…

Recently developed quantum algorithms suggest that quantum computers can solve certain problems and perform certain tasks more efficiently than conventional computers. Among other reasons, this is due to the possibility of creating…

Quantum Physics · Physics 2007-05-23 Rolando D. Somma

Extracting the Hamiltonian of interacting quantum-information processing systems is a keystone problem in the realization of complex phenomena and large-scale quantum computers. The remarkable growth of the field increasingly requires…

Simulating response properties of molecules is crucial for interpreting experimental spectroscopies and accelerating materials design. However, it remains a long-standing computational challenge for electronic structure methods on classical…

As the realization of a fully operational quantum computer remains distant, quantum simulation, whereby one quantum system is engineered to simulate another, becomes a key goal of great practical importance. Here we report on a variational…

Quantum Physics · Physics 2013-04-03 Sean Barrett , Klemens Hammerer , Sarah Harrison , Tracy E. Northup , Tobias J. Osborne

Quantum computers are an ideal platform to study the ground state properties of strongly correlated systems due to the limitation of classical computing techniques particularly for systems exhibiting quantum phase transitions. While the…

Quantum Physics · Physics 2025-07-18 Ammar Kirmani , Elijah Pelofske , Andreas Bärtschi , Stephan Eidenbenz , Jian-Xin Zhu

Variational quantum algorithms (VQAs) have emerged in recent years as a promise to obtain quantum advantage. These task-oriented algorithms work in a hybrid loop combining a quantum processor and classical optimization. Using a specific…

Due to the wide range of technical applications of actinide elements, a thorough understanding of their electronic structure could complement technological improvements in many different areas. Quantum computing could greatly aid in this…

Quantum chemical calculations (QCC) are computational techniques to analyze the characteristics of molecules. The variational quantum eigensolver (VQE) designed for noisy intermediate-scale quantum (NISQ) computers can be used to calculate…

Chemical Physics · Physics 2024-01-17 Satoshi Imamura , Akihiko Kasagi , Eiji Yoshida

The cascaded variational quantum eigensolver (CVQE) circumvents the need for iterative communication between the quantum and classical processing units that is necessary in the conventional VQE algorithm. While CVQE offers complete freedom…

Quantum Physics · Physics 2026-05-04 Yi-Hua Lai , John P. T. Stenger , Gloria Bazargan , Igor V. Schweigert , Daniel Gunlycke

Reflecting the increasing interest in quantum computing, the variational quantum eigensolver (VQE) has attracted much attentions as a possible application of near-term quantum computers. Although the VQE has often been applied to quantum…

Quantum Physics · Physics 2022-12-07 Yasutaka Nishida , Fumihiko Aiga

Quantum computers potentially have an exponential advantage over classical computers for the quantum simulation of many-fermion quantum systems. Nonetheless, fermions are more expensive to simulate than bosons due to the fermionic encoding…

Quantum Physics · Physics 2022-06-29 Scott E. Smart , David A. Mazziotti

Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable at present on classical architectures. Here, we discuss…

Quantum Physics · Physics 2022-05-03 Christian Vorwerk , Nan Sheng , Marco Govoni , Benchen Huang , Giulia Galli

Entanglement between solid-state quantum emitters (QEs) is a key resource for photonic quantum technologies. Achieving such entanglement requires strong and controllable long-range interactions between QEs. However, engineering such…

Mesoscale and Nanoscale Physics · Physics 2026-03-02 Yinhui Kan , Shailesh Kumar , Xujing Liu , Antonio I. Fernández-Domínguez , Sergey I. Bozhevolnyi

Quantum computing promises to speed up some of the most challenging problems in science and engineering. Quantum algorithms have been proposed showing theoretical advantages in applications ranging from chemistry to logistics optimization.…

Quantum Physics · Physics 2021-11-12 Niklas Heim , Atiyo Ghosh , Oleksandr Kyriienko , Vincent E. Elfving

Quantum sensing exploits quantum phenomena to enhance the detection and estimation of classical parameters of physical systems and biological entities, particularly so as to overcome the inefficiencies of its classical counterparts. A…

We show how a quantum computer can be employed to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment…

Quantum Physics · Physics 2017-08-14 Markus Reiher , Nathan Wiebe , Krysta M Svore , Dave Wecker , Matthias Troyer

In circuit quantum acoustodynamics (cQAD), superconducting circuits are combined with acoustic resonators to create and control non-classical states of mechanical motion. Simulating these systems is challenging due to the extreme difference…

Quantum Physics · Physics 2023-08-11 Hugo Banderier , Maxwell Drimmer , Yiwen Chu

We propose quantum-selected configuration interaction (QSCI), a class of hybrid quantum-classical algorithms for calculating the ground- and excited-state energies of many-electron Hamiltonians on noisy quantum devices. Suppose that an…

Quantum Physics · Physics 2023-02-23 Keita Kanno , Masaya Kohda , Ryosuke Imai , Sho Koh , Kosuke Mitarai , Wataru Mizukami , Yuya O. Nakagawa