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We present a review of the Unitary Coupled Cluster (UCC) ansatz and related ans\"atze which are used to variationally solve the electronic structure problem on quantum computers. A brief history of coupled cluster (CC) methods is provided,…

The Trotterized Unitary Coupled Cluster Single and Double (UCCSD) ansatz has recently attracted interest due to its use in Variation Quantum Eigensolver (VQE) molecular simulations on quantum computers. However, when the size of molecules…

Chemical Physics · Physics 2023-05-29 Mohammad Haidar , Marko J. Rančić , Yvon Maday , Jean-Philip Piquemal

Quantum computing (QC) provides a promising avenue toward enabling quantum chemistry calculations, which are classically impossible due to a computational complexity that increases exponentially with system size. As fully fault-tolerant…

The iterative qubit coupled cluster (iQCC) method is a systematic variational approach to solve the electronic structure problem on universal quantum computers. It is able to use arbitrarily shallow quantum circuits at expense of iterative…

Quantum Physics · Physics 2020-09-30 Ilya G. Ryabinkin , Artur F. Izmaylov , Scott N. Genin

In recent times, Variational Quantum Circuits (VQC) have been widely adopted to different tasks in machine learning such as Combinatorial Optimization and Supervised Learning. With the growing interest, it is pertinent to study the…

Quantum Physics · Physics 2022-12-13 Dheeraj Peddireddy , Vipul Bansal , Vaneet Aggarwal

Using quantum devices supported by classical computational resources is a promising approach to quantum-enabled computation. One example of such a hybrid quantum-classical approach is the variational quantum eigensolver (VQE) built to…

Quantum Physics · Physics 2017-04-12 Jarrod R. McClean , Mollie E. Schwartz , Jonathan Carter , Wibe A. de Jong

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…

Universal quantum algorithms (UQA) implemented on fault-tolerant quantum computers are expected to achieve an exponential speedup over classical counterparts. However, the deep quantum circuits makes the UQA implausible in the current era.…

Quantum Physics · Physics 2023-04-18 Jin-Min Liang , Qiao-Qiao Lv , Zhi-Xi Wang , Shao-Ming Fei

In the field of polaritonic chemistry, strong light-matter interactions are used to alter a chemical reaction inside an optical cavity. To explain and understand these processes, the development of reliable theoretical models is essential.…

Chemical Physics · Physics 2021-06-21 Fabijan Pavošević , Johannes Flick

Variational Quantum Eigensolvers (VQE) are a promising approach for finding the classically intractable ground state of a Hamiltonian. The Unitary Block Optimization Scheme (UBOS) is a state-of-the-art VQE method which works by sweeping…

Quantum Physics · Physics 2024-11-04 Xiaochuan Ding , Bryan K. Clark

Quantum Computing aims to streamline machine learning, making it more effective with fewer trainable parameters. This reduction of parameters can speed up the learning process and reduce the use of computational resources. However, in the…

Quantum Physics · Physics 2024-05-22 Michael Kölle , Timo Witter , Tobias Rohe , Gerhard Stenzel , Philipp Altmann , Thomas Gabor

The rapid development of noisy intermediate-scale quantum (NISQ) devices has raised the question of whether or not these devices will find commercial use. Unfortunately, a major shortcoming of many proposed NISQ-amenable algorithms, such as…

Quantum Physics · Physics 2021-10-22 Amara Katabarwa , Alex Kunitsa , Borja Peropadre , Peter Johnson

Solving problems related to planning and operations of large-scale power systems is challenging on classical computers due to their inherent nature as mixed-integer and nonlinear problems. Quantum computing provides new avenues to approach…

Quantum Physics · Physics 2025-05-02 Willie Aboumrad , Phani R V Marthi , Suman Debnath , Martin Roetteler , Evgeny Epifanovsky

Variational quantum algorithms (VQAs) provide a promising approach to achieve quantum advantage in the noisy intermediate-scale quantum era. In this era, quantum computers experience high error rates and quantum error detection and…

Emerging Technologies · Computer Science 2021-09-07 Salonik Resch , Anthony Gutierrez , Joon Suk Huh , Srikant Bharadwaj , Yasuko Eckert , Gabriel Loh , Mark Oskin , Swamit Tannu

Despite the advantage quantum computers are expected to deliver when performing simulations compared to their classical counterparts, the current noisy intermediate-scale quantum (NISQ) devices remain limited in their capabilities. The…

Quantum Physics · Physics 2024-02-20 Clara Ferreira Cores , Kaur Kristjuhan , Mark Nicholas Jones

In this study, we propose a new method for constrained combinatorial optimization using variational quantum circuits. Quantum computers are considered to have the potential to solve large combinatorial optimization problems faster than…

Quantum Physics · Physics 2025-07-15 Hyakka Nakada , Kotaro Tanahashi , Shu Tanaka

Shallow, CNOT-efficient quantum circuits are crucial for performing accurate computational chemistry simulations on current noisy quantum hardware. Here, we explore the usefulness of non-iterative energy corrections, based on the method of…

Chemical Physics · Physics 2023-05-03 Ilias Magoulas , Francesco A. Evangelista

Molecular quantum-dot Cellular Automata (QCA) may provide low-power, high-speed computational hardware for processing classical information. Simulation and modeling play an important role in the design of QCA circuits because fully-coherent…

Quantum Physics · Physics 2025-10-15 Nischal Binod Gautam , Enrique P. Blair

The emerging field of quantum simulation of many-body systems is widely recognized as a very important application of quantum computing. A crucial step towards its realization in the context of many-electron systems requires a rigorous…

Atomic Physics · Physics 2021-08-23 Sumeet , V. S. Prasannaa , B. P. Das , B. K. Sahoo

Quantum computing (QC) offers a new computing paradigm that has the potential to provide significant speedups over classical computing. Each additional qubit doubles the size of the computational state space available to a quantum…

Quantum Physics · Physics 2022-05-13 Wei Tang , Margaret Martonosi