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The practical application of quantum technologies to chemical problems faces significant challenges, particularly in the treatment of realistic basis sets and the accurate inclusion of electron correlation effects. A direct approach to…

Classical simulation of real-space quantum dynamics is challenging due to the exponential scaling of computational cost with system dimensions. Quantum computer offers the potential to simulate quantum dynamics with polynomial complexity;…

Quantum Physics · Physics 2021-10-13 Chee-Kong Lee , Chang-Yu Hsieh , Shengyu Zhang , Liang Shi

We present quantum algorithms, for Hamiltonians of linear combinations of local unitary operators, for Hamiltonian matrix-vector products and for preconditioning with the inverse of shifted reduced Hamiltonian operator that contributes to…

Quantum Physics · Physics 2020-09-09 Zhiyong Zhang

Quantum error mitigation (QEM) has emerged as a powerful tool for the extraction of useful quantum information from quantum devices. Here, we introduce the Subspace Noise Tailoring (SNT) algorithm, which efficiently combines the cheap cost…

Quantum algorithms on the noisy intermediate-scale quantum (NISQ) devices are expected to simulate quantum systems that are classically intractable to demonstrate quantum advantages. However, the non-negligible gate error on the NISQ…

Quantum Physics · Physics 2021-12-06 Joseph C. Aulicino , Trevor Keen , Bo Peng

Quantum walks (QWs) are of interest as examples of uniquely quantum behavior and are applicable in a variety of quantum search and simulation models. Implementing QWs on quantum devices is useful from both points of view. We describe a…

Quantum Physics · Physics 2020-09-08 Asif Shakeel

We propose a computational protocol for quantum simulations of Fermionic Hamiltonians on a quantum computer, enabling calculations which were previously not feasible with conventional encoding and ansatses of variational quantum…

Quantum Physics · Physics 2023-03-15 Benchen Huang , Nan Sheng , Marco Govoni , Giulia Galli

Hamiltonian diagonalization is at the heart of understanding physical properties and practical applications of quantum systems. It is highly desired to design quantum algorithms that can speedup Hamiltonian diagonalization, especially those…

Quantum Physics · Physics 2021-07-23 Jinfeng Zeng , Chenfeng Cao , Chao Zhang , Pengxiang Xu , Bei Zeng

Quantum simulation is a cornerstone application for quantum computing, yet standard methods face a trade-off between circuit depth and accuracy: Trotterization depth scales with the number of Hamiltonian terms $L$, while sampling-based…

Quantum Physics · Physics 2026-05-01 Sangjin Lee , Sangkook Choi

Simulating quantum dynamics is expected to be performed more easily on a quantum computer than on a classical computer. However, the currently available quantum devices lack the capability to implement fault-tolerant quantum algorithms for…

Quantum Physics · Physics 2022-02-28 Kian Hwee Lim , Tobias Haug , Leong Chuan Kwek , Kishor Bharti

Quantum Selected Configuration Interaction (QSCI) and an extended protocol known as Sample-based Quantum Diagonalization (SQD) have emerged as promising algorithms to solve the electronic Schr\"odinger equation with noisy quantum computers.…

Quantum Physics · Physics 2025-08-26 Don Danilov , Javier Robledo-Moreno , Kevin J. Sung , Mario Motta , James Shee

Reducing the complexity of quantum algorithms to treat quantum chemistry problems is essential to demonstrate an eventual quantum advantage of Noisy-Intermediate Scale Quantum (NISQ) devices over their classical counterpart. Significant…

Quantum Physics · Physics 2022-12-07 Emiel Koridon , Saad Yalouz , Bruno Senjean , Francesco Buda , Thomas E. O'Brien , Lucas Visscher

Quantum simulation is a foundational application for quantum computers, projected to offer insights into complex quantum systems beyond the reach of classical computation. However, with the exception of Trotter-based methods, which suffer…

Quantum Physics · Physics 2026-02-10 Amir Kalev , Itay Hen

Hamiltonian simulation is known to be one of the fundamental building blocks of a variety of quantum algorithms such as its most immediate application, that of simulating many-body systems to extract their physical properties. In this work,…

Quantum Physics · Physics 2024-06-21 Kouhei Nakaji , Mohsen Bagherimehrab , Alan Aspuru-Guzik

Quantum computing promises transformative impacts in simulating Hamiltonian dynamics, essential for studying physical systems inaccessible by classical computing. However, existing compilation techniques for Hamiltonian simulation, in…

A primary objective of quantum computation is to efficiently simulate quantum physics. Scientifically and technologically important quantum Hamiltonians include those with spin-$s$, vibrational, photonic, and other bosonic degrees of…

Quantum Physics · Physics 2020-12-11 Nicolas P. D. Sawaya , Gian Giacomo Guerreschi , Adam Holmes

Quantum simulation, fundamental in quantum algorithm design, extends far beyond its foundational roots, powering diverse quantum computing applications. However, optimizing the compilation of quantum Hamiltonian simulation poses significant…

Quantum Physics · Physics 2024-08-08 Xiuqi Cao , Junyu Zhou , Yuhao Liu , Yunong Shi , Gushu Li

Quantum computing not only holds the potential to solve long-standing problems in quantum physics, but also to offer speed-ups across a broad spectrum of other fields. However, due to the noise and the limited scale of current quantum…

Quantum Physics · Physics 2024-03-05 Julien Gacon

Dynamical quantum simulation may be one of the first applications to see quantum advantage. However, the circuit depth of standard Trotterization methods can rapidly exceed the coherence time of noisy quantum computers. This has led to…

Quantum Physics · Physics 2020-09-08 Benjamin Commeau , M. Cerezo , Zoë Holmes , Lukasz Cincio , Patrick J. Coles , Andrew Sornborger

Quantum computers offer the potential to simulate nuclear processes that are classically intractable. With the goal of understanding the necessary quantum resources to realize this potential, we employ state-of-the-art…