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Hybrid quantum-classical approaches offer potential solutions to quantum chemistry problems, yet they often manifest as constrained optimization problems. Here, we explore the interconnection between constrained optimization and generalized…

Quantum Physics · Physics 2025-03-27 Muqing Zheng , Bo Peng , Ang Li , Xiu Yang , Karol Kowalski

One of the commonly used chemical-inspired approaches in variational quantum computing is the unitary coupled-cluster (UCC) ansatze. Despite being a systematic way of approaching the exact limit, the number of parameters in the standard UCC…

Quantum Physics · Physics 2023-06-06 Shashank G Mehendale , Bo Peng , Niranjan Govind , Yuri Alexeev

Clifford circuits -- i.e. circuits composed of only CNOT, Hadamard, and $\pi/4$ phase gates -- play a central role in the study of quantum computation. However, their computational power is limited: a well-known result of Gottesman and…

Quantum Physics · Physics 2018-06-21 Adam Bouland , Joseph F. Fitzsimons , Dax Enshan Koh

Recent breakthroughs in generative machine learning, powered by massive computational resources, have demonstrated unprecedented human-like capabilities. While beyond-classical quantum experiments can generate samples from classically…

Classical simulations of quantum circuits play a vital role in the development of quantum computers and for taking the temperature of the field. Here, we classically simulate various physically-motivated circuits using 2D tensor network…

Quantum Physics · Physics 2025-09-16 Manuel S. Rudolph , Joseph Tindall

Quantum computation represents a revolutionary approach for solving problems in quantum chemistry. However, due to the limited quantum resources in the current noisy intermediate-scale quantum (NISQ) devices, quantum algorithms for large…

Quantum Physics · Physics 2023-04-17 Yi Fan , Changsu Cao , Xusheng Xu , Zhenyu Li , Dingshun Lv , Man-Hong Yung

In truncated coupled-cluster (CC) theories, non-variational and/or generally complex ground-state energies can occur. This is due to the non-Hermitian nature of the similarity transformed Hamiltonian matrix in combination with CC…

Chemical Physics · Physics 2023-09-22 Tanner Culpitt , Erik I. Tellgren , Fabijan Pavosevic

A key issue of current quantum advantage experiments is that their verification requires a full classical simulation of the ideal computation. This limits the regime in which the experiments can be verified to precisely the regime in which…

Quantum Physics · Physics 2025-10-08 Abhinav Deshpande , Bill Fefferman , Soumik Ghosh , Michael Gullans , Dominik Hangleiter

Over a decade after its proposal, the idea of using quantum computers to sample hard distributions has remained a key path to demonstrating quantum advantage. Yet a severe drawback remains: verification seems to require classical…

Quantum Physics · Physics 2024-05-22 Scott Aaronson , Yuxuan Zhang

Algorithms with unitary oracles can be nested, which makes them extremely versatile. An example is the phase estimation algorithm used in many candidate algorithms for quantum speed-up. The search for new quantum algorithms benefits from…

Quantum Physics · Physics 2024-04-01 Zuzana Gavorová , Matan Seidel , Yonathan Touati

Near-term feasibility, classical hardness, and verifiability are the three requirements for demonstrating quantum advantage; most existing quantum advantage proposals achieve at most two. A promising candidate recently proposed is through…

Quantum Physics · Physics 2025-10-02 Yuxuan Zhang

Quantum computational chemistry has emerged as an important application of quantum computing. Hybrid quantum-classical computing methods, such as variational quantum eigensolvers (VQE), have been designed as promising solutions to quantum…

Quantum computers are now on the brink of outperforming their classical counterparts. One way to demonstrate the advantage of quantum computation is through quantum random sampling performed on quantum computing devices. However, existing…

Predicting the properties of strongly correlated materials is a significant challenge in condensed matter theory. The widely used dynamical mean-field theory faces difficulty in solving quantum impurity models numerically. Hybrid…

Unitary Coupled Cluster (UCC) approaches are an appealing route to utilising quantum hardware to perform quantum chemistry calculations, as quantum computers can in principle perform UCC calculations in a polynomially scaling fashion, as…

Quantum Physics · Physics 2022-06-15 Maria-Andreea Filip , Nathan Fitzpatrick , David Muñoz Ramo , Alex J. W. Thom

To ensure a long-term quantum computational advantage, the quantum hardware should be upgraded to withstand the competition of continuously improved classical algorithms and hardwares. Here, we demonstrate a superconducting quantum…

The variational quantum eigensolver (VQE) algorithm combines the ability of quantum computers to efficiently compute expectation values with a classical optimization routine in order to approximate ground state energies of quantum systems.…

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

One of the core challenges of research in quantum computing is concerned with the question whether quantum advantages can be found for near-term quantum circuits that have implications for practical applications. Motivated by this mindset,…

Quantum Physics · Physics 2024-11-28 N. Pirnay , S. Jerbi , J. -P. Seifert , J. Eisert

Quantum-selected configuration interaction (QSCI) is a promising hybrid quantum-classical approach in which a quantum device generates configurations for subsequent classical diagonalization. Here, we analyze the performance of QSCI…