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In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…

Quantum computing brings a promise of new approaches into computational quantum chemistry. While universal, fault-tolerant quantum computers are still not available, we want to utilize today's noisy quantum processors. One of their flagship…

Molecular polaritons arise when molecules interact so strongly with light that they become entangled with each other. This light-matter hybridization alters the chemical and physical properties of the molecular system and allows chemical…

Chemical Physics · Physics 2023-07-28 Tor S. Haugland , John P. Philbin , Tushar K. Ghosh , Ming Chen , Henrik Koch , Prineha Narang

We present high-precision quantum computing simulations of three-body atoms (He, H$^-$) and molecules (H$_2^+$, HD$^+$), the latter being studied beyond the Born-Oppenheimer approximation. The Non-Iterative Disentangled Unitary Coupled…

Quantum Physics · Physics 2025-10-22 Mohammad Haidar , Hugo D. Nogueira , J. -Ph. Karr

A family of Variational Quantum Eigensolver (VQE) methods is designed to maximize the resource of existing noisy intermediate-scale quantum (NISQ) devices. However, VQE approaches encounter various difficulties in simulating molecules of…

Chemical Physics · Physics 2022-08-16 M. D. Sapova , A. K. Fedorov

A unitary coupled-cluster (UCC) form for the wavefunction in the variational quantum eigensolver has been suggested as a systematic way to go beyond the mean-field approximation and include electron correlation in solving quantum chemistry…

Quantum Physics · Physics 2018-09-12 Ilya G. Ryabinkin , Tzu-Ching Yen , Scott N. Genin , Artur F. Izmaylov

Integrated photonics has been a promising platform for analog quantum simulation of condensed matter phenomena in strongly correlated systems. To that end, we explore the implementation of all-photonic quantum simulators in coupled cavity…

Variational quantum eigensolver (VQE), which combines quantum systems with classical computational power, has been arisen as a promising candidate for near-term quantum computing applications. However, the experimental resources such as the…

Fusion-based quantum computation is a promising quantum computing model where small-sized photonic resource states are simultaneously entangled and measured by fusion gates. Such operations can be readily implemented with scalable photonic…

Understanding complex chemical systems -- such as biomolecules, catalysts, and novel materials -- is a central goal of quantum simulations. Near-term strategies hinge on the use of variational quantum eigensolver (VQE) algorithms combined…

Quantum Physics · Physics 2023-08-02 Joshua Goings , Luning Zhao , Jacek Jakowski , Titus Morris , Raphael Pooser

Quantum-classical hybrid algorithms are emerging as promising candidates for near-term practical applications of quantum information processors in a wide variety of fields ranging from chemistry to physics and materials science. We report…

Classical simulations of noisy quantum circuits are instrumental to our understanding of the behavior of real-world quantum systems and the identification of regimes where one expects quantum advantage. In this work, we present a highly…

Quantum Physics · Physics 2026-02-17 Simon Cichy , Paul K. Faehrmann , Lennart Bittel , Jens Eisert , Hakop Pashayan

The variational quantum eigensolver (or VQE) uses the variational principle to compute the ground state energy of a Hamiltonian, a problem that is central to quantum chemistry and condensed matter physics. Conventional computing methods are…

Photonic quantum simulators are promising candidates for providing insight into other small- to medium-sized quantum systems. The available photonic quantum technology is reaching the state where significant advantages arise for the quantum…

Variational Quantum Algorithms (VQAs) are a class of hybrid quantum-classical algorithms that leverage on classical optimization tools to find the optimal parameters for a parameterized quantum circuit. One relevant application of VQAs is…

Quantum Physics · Physics 2026-01-26 Mirko Legnini , Julian Berberich

We propose and experimentally demonstrate a general method allowing us to unravel microscopic noise events that affect a continuous quantum variable. Such unraveling is achieved by frequent measurements of a discrete variable coupled to the…

Quantum optical amplification that beats the noise addition limit for deterministic amplifiers has been realized experimentally using several different nondeterministic protocols. These schemes either require single-photon sources, or…

Variational algorithms are a promising paradigm for utilizing near-term quantum devices for modeling electronic states of molecular systems. However, previous bounds on the measurement time required have suggested that the application of…

We present a medium-dependent quantum optics approach to describe the influence of electron-acoustic phonon coupling on the emission spectra of a strongly coupled quantum-dot cavity system. Using a canonical Hamiltonian for light…

Mesoscale and Nanoscale Physics · Physics 2011-05-03 S. Hughes , P. Yao , F. Milde , A. Knorr , D. Dalacu , K. Mnaymneh , V. Sazonova , P. J. Poole , G. C. Aers , J. Lapointe , R. Cheriton , R. L. Williams

Finding ground state energies on current quantum processing units (QPUs) using algorithms like the variational quantum eigensolver (VQE) continues to pose challenges. Hardware noise severely affects both the expressivity and trainability of…

Quantum Physics · Physics 2024-10-07 João C. Getelina , Prachi Sharma , Thomas Iadecola , Peter P. Orth , Yong-Xin Yao