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The unitary cluster Jastrow (UCJ) ansatz and its variant known as local UCJ (LUCJ) are promising choices for variational quantum algorithms for chemistry due to their combination of physical motivation and hardware efficiency. The…

Quantum Physics · Physics 2025-12-01 Wan-Hsuan Lin , Fangchun Liang , Mario Motta , Haimeng Zhang , Kenneth M. Merz , Kevin J. Sung

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

Near-term quantum devices require wavefunction ans\"atze that are expressive while also of shallow circuit depth in order to both accurately and efficiently simulate molecular electronic structure. While unitary coupled cluster (e.g.,…

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,…

Assuming the polynomial hierarchy is infinite, we prove a sufficient condition for determining if uniform and polynomial size quantum circuits over a non-universal gate set are not efficiently classically simulable in the weak…

Quantum Physics · Physics 2025-10-23 Chaitanya Karamchedu , Matthew Fox , Daniel Gottesman

Simulating molecules using the Variational Quantum Eigensolver method is one of the promising applications for NISQ-era quantum computers. Designing an efficient ansatz to represent the electronic wave function is crucial in such…

Chemical Physics · Physics 2022-05-09 Dmitry A. Fedorov , Yuri Alexeev , Stephen K. Gray , Matthew Otten

Current quantum computing hardware is restricted by the availability of only few, noisy qubits which limits the investigation of larger, more complex molecules in quantum chemistry calculations on quantum computers in the near-term. In this…

The unitary coupled cluster (UCC) ansatz is a promising tool for achieving high-precision results using the variational quantum eigensolver (VQE) algorithm in the NISQ era. However, results on quantum hardware are thus far very limited and…

Quantum Physics · Physics 2024-11-27 Mark R. Hirsbrunner , Diana Chamaki , J. Wayne Mullinax , Norm M. Tubman

The problem of sampling outputs of quantum circuits has been proposed as a candidate for demonstrating a quantum computational advantage (sometimes referred to as quantum "supremacy"). In this work, we investigate whether quantum advantage…

Quantum Physics · Physics 2021-06-09 Leonardo Novo , Juani Bermejo-Vega , Raúl García-Patrón

The incorporation of quantum ansatz with machine learning classification models demonstrates the ability to extract patterns from data for classification tasks. However, taking advantage of the enhanced computational power of quantum…

Quantum Physics · Physics 2024-11-13 Arpita Ghosh , MD Muhtasim Fuad , Seemanta Bhattacharjee

Unitary coupled cluster (UCC), originally developed as a variational alternative to the popular traditional coupled cluster method, has seen a resurgence as a functional form for use on quantum computers. However, the number of excitors…

Chemical Physics · Physics 2021-01-07 Maria-Andreea Filip , Alex J. W. Thom

The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…

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

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

In the context of quantum computing, efficient resource management is crucial for optimizing throughput on cloud-based platforms and maximizing hardware utilization. In the present work, we propose an approach to tackle quantum chemistry…

Quantum Physics · Physics 2026-05-14 Milana Bazayeva , Abigail McClain Gomez , Kenneth M. Merz

Quantum computational advantage is a critical milestone for near-term quantum technologies and an essential step towards building practical quantum computers. Recent successful demonstrations of quantum computational advantage owe much to…

Quantum Physics · Physics 2025-01-28 He-Liang Huang , Youwei Zhao , Chu Guo

Molecular simulations are widely regarded as leading candidates to demonstrate quantum advantage--defined as the point at which quantum methods surpass classical approaches in either accuracy or scale. Yet the qubit counts and error rates…

Quantum random sampling is the leading proposal for demonstrating a computational advantage of quantum computers over classical computers. Recently, first large-scale implementations of quantum random sampling have arguably surpassed the…

Quantum Physics · Physics 2023-07-21 Dominik Hangleiter , Jens Eisert

A critical milestone on the path to useful quantum computers is quantum supremacy - a demonstration of a quantum computation that is prohibitively hard for classical computers. A leading near-term candidate, put forth by the Google/UCSB…

Quantum Physics · Physics 2020-11-13 Adam Bouland , Bill Fefferman , Chinmay Nirkhe , Umesh Vazirani

Random circuit sampling, the task to sample bit strings from a random unitary operator, has been performed to demonstrate quantum advantage on the Sycamore quantum processor with 53 qubits and on the Zuchongzhi quantum processor with 56 and…

Quantum Physics · Physics 2022-11-28 Sangchul Oh , Sabre Kais
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