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We propose a general strategy to develop quantum many-body approximations of primitives in linear algebra algorithms. As a practical example, we introduce a coupled-cluster inspired framework to produce approximate Hamiltonian moments, and…

Chemical Physics · Physics 2025-12-30 Yuhang Ai , Huanchen Zhai , Johannes Tölle , Garnet Kin-Lic Chan

In the era of noisy intermediate-scale quantum (NISQ) devices, the number of controllable hardware qubits is insufficient to implement quantum error correction (QEC). As an alternative, quantum error mitigation (QEM) can suppress errors in…

Quantum Physics · Physics 2022-11-02 Yuchen Guo , Shuo Yang

Neutral atom arrays have recently emerged as a promising platform for quantum information processing. One important remaining roadblock for the large-scale application of these systems is the ability to perform error-corrected quantum…

Quantum computing has emerged as a promising platform for simulating strongly correlated systems in chemistry, for which the standard quantum chemistry methods are either qualitatively inaccurate or too expensive. However, due to the…

Chemical Physics · Physics 2024-05-06 Max Rossmannek , Fabijan Pavošević , Angel Rubio , Ivano Tavernelli

Advances in quantum computation for electronic structure, and particularly heuristic quantum algorithms, create an ongoing need to characterize the performance and limitations of these methods. Here we discuss some potential pitfalls…

Quantum Physics · Physics 2023-08-08 Ruhee D'Cunha , T. Daniel Crawford , Mario Motta , Julia E. Rice

The factorized form of unitary coupled cluster theory (UCC) is a promising wave-function ansatz for the variational quantum eigensolver algorithm. Here, we present a quantum inspired algorithm for UCC based on an exact operator identity for…

Strongly Correlated Electrons · Physics 2020-09-24 Jia Chen , Hai-Ping Cheng , James Freericks

A major milestone of quantum error correction is to achieve the fault-tolerance threshold beyond which quantum computers can be made arbitrarily accurate. This requires extraordinary resources and engineering efforts. We show that even…

Quantum Physics · Physics 2021-06-16 Miroslav Urbanek , Benjamin Nachman , Wibe A. de Jong

The rapid progress of noisy intermediate-scale quantum (NISQ) computing underscores the need to test and evaluate new devices and applications. Quantum chemistry is a key application area for these devices, and therefore serves as an…

Simulations of nuclear magnetic resonance (NMR) experiments can be an important tool for extracting information about molecular structure and optimizing experimental protocols but are often intractable on classical computers for large…

Classical simulations of time-dependent quantum systems are widely used in quantum control research. In particular, these simulations are commonly used to host iterative optimal control algorithms. This is convenient for algorithms that are…

Quantum Physics · Physics 2021-11-23 Tyler Jones , Kaiah Steven , Xavier Poncini , Matthew Rose , Arkady Fedorov

Performing experiments on small-scale quantum computers is certainly a challenging endeavor. Many parameters need to be optimized to achieve high-fidelity operations. This can be done efficiently for operations acting on single qubits as…

Quantum Physics · Physics 2016-08-31 M. Müller , A. Rivas , E. A. Martínez , D. Nigg , P. Schindler , T. Monz , R. Blatt , M. A. Martin-Delgado

We introduce a unitary coupled-cluster (UCC) ansatz termed $k$-UpCCGSD that is based on a family of sparse generalized doubles (D) operators which provides an affordable and systematically improvable unitary coupled-cluster wavefunction…

Quantum Physics · Physics 2019-01-07 Joonho Lee , William J. Huggins , Martin Head-Gordon , K. Birgitta Whaley

The Measurement Based Quantum Computation (MBQC) model achieves universal quantum computation by employing projective single qubit measurements with classical feedforward on a highly entangled multipartite cluster state. Rapid advances in…

Quantum Physics · Physics 2021-12-23 Swapnil Nitin Shah

The electron pair approximation offers a resource efficient variational quantum eigensolver (VQE) approach for quantum chemistry simulations on quantum computers. With the number of entangling gates scaling quadratically with system size…

Harnessing quantum mechanics properties, quantum computers have the potential to outperform classical computers in many applications and are envisioned to affect various aspects of our society. Different approaches are being explored for…

Quantum Physics · Physics 2025-07-02 Muhammad Kashif , Saif Al-Kuwari

The variational quantum eigensolver (VQE) algorithm, designed to calculate the energy of molecular ground states on near-term quantum computers, requires specification of symmetries that describe the system, e.g. spin state and number of…

Quantum Physics · Physics 2020-06-18 Gabriel Greene-Diniz , David Muñoz Ramo

The quantum simulation of quantum chemistry is a promising application of quantum computers. However, for N molecular orbitals, the $\mathcal{O}(N^4)$ gate complexity of performing Hamiltonian and unitary Coupled Cluster Trotter steps makes…

Computational Physics · Physics 2022-05-18 Mario Motta , Erika Ye , Jarrod R. McClean , Zhendong Li , Austin J. Minnich , Ryan Babbush , Garnet Kin-Lic Chan

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

The quantum circuit model is the de-facto way of designing quantum algorithms. Yet any level of abstraction away from the underlying hardware incurs overhead. In the era of near-term, noisy, intermediate-scale quantum (NISQ) hardware with…

Quantum Physics · Physics 2021-08-27 Laura Clinton , Johannes Bausch , Toby Cubitt

In this work we put forward the inclusion of error mitigation routines in the process of training Variational Quantum Circuit (VQC) models. In detail, we define a Real Time Quantum Error Mitigation (RTQEM) algorithm to assist in fitting…

Quantum Physics · Physics 2023-11-30 Matteo Robbiati , Alejandro Sopena , Andrea Papaluca , Stefano Carrazza
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