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Cavity quantum electrodynamics (QED), wherein a quantum emitter is coupled to electromagnetic cavity modes, is a powerful platform for implementing quantum sensors, memories, and networks. However, due to the fundamental tradeoff between…

Quantum Physics · Physics 2023-03-24 Aviv Karnieli , Shai Tsesses , Renwen Yu , Nicholas Rivera , Ady Arie , Ido Kaminer , Shanhui Fan

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 mechanics has introduced a new theoretical framework for the study of molecules, enabling the prediction of properties and dynamics through the solution of the Schr\"odinger equation applied to these systems. However, solving this…

In classical computational chemistry, the coupled-cluster ansatz is one of the most commonly used $ab~initio$ methods, which is critically limited by its non-unitary nature. The unitary modification as an ideal solution to the problem is,…

Quantum Physics · Physics 2017-03-01 Yangchao Shen , Xiang Zhang , Shuaining Zhang , Jing-Ning Zhang , Man-Hong Yung , Kihwan Kim

Measurement-based quantum computation has revolutionized quantum information processing, and the physical systems with which it can be implemented. One simply needs the ability to prepare a particular state, known as the cluster state, and…

Quantum Physics · Physics 2008-02-15 Dimitris G. Angelakis , Alastair Kay

The variational quantum eigensolver is one of the most promising algorithms for near-term quantum computers. It has the potential to solve quantum chemistry problems involving strongly correlated electrons, which are otherwise difficult to…

Quantum Physics · Physics 2023-07-18 Luogen Xu , James K. Freericks

We present a quantum-classical hybrid algorithm that simulates electronic structures of periodic systems such as ground states and quasiparticle band structures. By extending the unitary coupled cluster (UCC) theory to describe crystals in…

Quantum Physics · Physics 2022-02-16 Nobuyuki Yoshioka , Takeshi Sato , Yuya O. Nakagawa , Yu-ya Ohnishi , Wataru Mizukami

Quantum computing presents a promising avenue for solving complex problems, particularly in quantum chemistry, where it could accelerate the computation of molecular properties and excited states. This work focuses on hybrid…

This article introduces a novel approach to perform the simulation of a single qubit quantum algorithm using laser beams. Leveraging the polarization states of photonic qubits, and inspired by variational quantum eigensolvers, we develop a…

The unitary coupled cluster (UCC) approximation is one of the more promising wave-function ans\"atze for electronic structure calculations on quantum computers via the variational quantum eigensolver algorithm. However, for large systems…

Quantum Physics · Physics 2021-09-30 Jia Chen , Hai-Ping Cheng , James K. Freericks

Variational quantum eigensolver (VQE) for electronic structure calculations is believed to be one major potential application of near term quantum computing. Among all proposed VQE algorithms, the unitary coupled cluster singles and doubles…

Quantum Physics · Physics 2020-10-13 Rongxin Xia , Sabre Kais

Solving electronic structure problems is considered one of the most promising applications of quantum computing. However, due to limitations imposed by the coherence time of qubits in the Noisy Intermediate Scale Quantum (NISQ) era or the…

Quantum Physics · Physics 2025-03-20 Shuo Sun , Chandan Kumar , Kevin Shen , Elvira Shishenina , Christian B. Mendl

We describe a compilation strategy for Variational Quantum Eigensolver (VQE) algorithms which use the Unitary Coupled Cluster (UCC) ansatz, designed to reduce circuit depth and gate count. This is achieved by partitioning Pauli exponential…

Quantum Physics · Physics 2020-08-28 Alexander Cowtan , Will Simmons , Ross Duncan

Circuit depth reduction is of critical importance for quantum chemistry simulations on current and near term quantum computers. This issue is tackled by introducing a chemically aware strategy for the Unitary Coupled Cluster ansatz. The…

We propose a practical, scalable, and efficient scheme for quantum computation using spatially separated matter qubits and single photon interference effects. The qubit systems can be NV-centers in diamond, Pauli-blockade quantum dots with…

Quantum Physics · Physics 2009-11-10 Sean D. Barrett , Pieter Kok

Quantum electrodynamics coupled-cluster (QED-CC) theory is used to model vacuum-field-induced changes to ground-state properties of a series of sodium halide compounds (NaX, X = F, Cl, Br, I) strongly coupled to an optical cavity.…

Chemical Physics · Physics 2021-03-17 A. Eugene DePrince

We introduce crystal polaritons, hybrid excitations formed when the collective excitations of a periodic quantum-emitter array strongly couple to the resonant Bloch modes of a metasurface. This realizes a cavity-QED platform in which…

Quantum chemistry simulations that accurately predict the properties of materials are among the most highly anticipated applications of quantum computing. It is widely believed that simulations running on quantum computers will allow for…

In quantum chemistry, the variational quantum eigensolver (VQE) is a promising algorithm for molecular simulations on near-term quantum computers. However, VQEs using hardware-efficient circuits face scaling challenges due to the barren…

Quantum Physics · Physics 2024-09-27 Rui Mao , Guojing Tian , Xiaoming Sun

Light-matter coupled Hamiltonians are central to cavity materials engineering and polaritonic chemistry, but are challenging to simulate with classical hardware due to the scaling of the Hilbert space with the number of quantum photon modes…

Quantum Physics · Physics 2025-10-21 Francesco Troisi , Simone Latini , Heiko Appel , Martin Lüders , Angel Rubio , Ivano Tavernelli