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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…

Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…

Quantum Physics · Physics 2022-05-18 Alexis Ralli , Michael I. Williams , Peter V. Coveney

We present a low-space overhead simulation algorithm based on the truncated Dyson series for time-dependent quantum dynamics. This algorithm is applied to simulating time-independent Hamiltonians by transitioning to the interaction picture,…

Quantum Physics · Physics 2019-06-07 Guang Hao Low , Nathan Wiebe

Quantum Hamiltonian simulation, which simulates the evolution of quantum systems and probes quantum phenomena, is one of the most promising applications of quantum computing. Recent experimental results suggest that Hamiltonian-oriented…

Programming Languages · Computer Science 2023-11-21 Yuxiang Peng , Jacob Young , Pengyu Liu , Xiaodi Wu

The advent of hybrid computing platforms consisting of quantum processing units integrated with conventional high-performance computing brings new opportunities for algorithm design. By strategically offloading select portions of the…

We develop circuit implementations for digital-level quantum Hamiltonian dynamics simulation algorithms suitable for implementation on a reconfigurable quantum computer, such as trapped ions. Our focus is on the co-design of a problem, its…

Quantum Physics · Physics 2020-04-09 Yunseong Nam , Dmitri Maslov

The simulation of quantum many-body systems, relevant for quantum chemistry and condensed matter physics, is one of the most promising applications of near-term quantum computers before fault-tolerance. However, since the vast majority of…

Quantum Physics · Physics 2025-10-20 Arash Jafarizadeh , Frank Pollmann , Adam Gammon-Smith

Given quantum hardware that enables sampling from a family of natively implemented Hamiltonians, how well can one use that hardware to sample from a Hamiltonian outside that family? A common approach is to minor embed the desired…

Quantum Physics · Physics 2022-02-24 Jeffrey Marshall , Gianni Mossi , Eleanor G. Rieffel

We develop a fourth-order Magnus expansion based quantum algorithm for the simulation of many-body problems involving two-level quantum systems with time-dependent Hamiltonians, $\mathcal{H}(t)$. A major hurdle in the utilization of the…

Quantum Physics · Physics 2023-12-14 Guannan Chen , Mohammadali Foroozandeh , Chris Budd , Pranav Singh

In recent years quantum simulation has made great strides culminating in experiments that operate in a regime that existing supercomputers cannot easily simulate. Although this raises the possibility that special purpose analog quantum…

Quantum Physics · Physics 2014-05-21 Nathan Wiebe , Christopher Granade , Christopher Ferrie , D. G. Cory

A potential approach for demonstrating quantum advantage is using quantum computers to simulate fermionic systems. Quantum algorithms for fermionic system simulation usually involve the Hamiltonian evolution and measurements. However, in…

Quantum Physics · Physics 2025-05-14 Qing-Song Li , Jiaxuan Zhang , Huan-Yu Liu , Qingchun Wang , Yu-Chun Wu , Guo-Ping Guo

Quantum walks provide a natural framework to approach graph problems with quantum computers, exhibiting speedups over their classical counterparts for tasks such as the search for marked nodes or the prediction of missing links.…

Quantum Physics · Physics 2023-06-27 Duarte Magano , João Moutinho , Bruno Coutinho

Digital quantum simulation has broad applications in approximating unitary evolution of Hamiltonians. In practice, many simulation tasks for quantum systems focus on quantum states in the low-energy subspace instead of the entire Hilbert…

Quantum Physics · Physics 2024-07-16 Weiyuan Gong , Shuo Zhou , Tongyang Li

Quantum Hamiltonian simulation is one of the most promising applications of quantum computing and forms the basis for many quantum algorithms. Benchmarking them is an important gauge of progress in quantum computing technology. We present a…

The Fermi-Hubbard model (FHM) is a simple yet rich model of strongly interacting electrons with complex dynamics and a variety of emerging quantum phases. These properties make it a compelling target for digital quantum simulation.…

Simulating real-time dynamics under a Hamiltonian is a central goal of quantum information science. While numerous Hamiltonian-simulation quantum algorithms have been proposed, the effects of physical noise have rarely been incorporated…

Quantum Physics · Physics 2026-03-13 Keisuke Murota , Synge Todo , Suguru Endo

We significantly enhance the simulation accuracy of initial Trotter circuits for Hamiltonian simulation of quantum systems by integrating first-order Riemannian optimization with tensor network methods. Unlike previous approaches, our…

Quantum Physics · Physics 2025-12-30 Isabel Nha Minh Le , Shuo Sun , Christian B. Mendl

Recent work has shown that quantum simulation is a valuable tool for learning empirical models for quantum systems. We build upon these results by showing that a small quantum simulators can be used to characterize and learn control models…

Quantum Physics · Physics 2015-04-01 Nathan Wiebe , Christopher Granade , David G. Cory

Transcorrelated methods provide an efficient way of partially transferring the description of electronic correlations from the ground state wavefunction directly into the underlying Hamiltonian. In particular, Dobrautz et al. [Phys. Rev. B,…

Quantum Physics · Physics 2023-03-03 Igor O. Sokolov , Werner Dobrautz , Hongjun Luo , Ali Alavi , Ivano Tavernelli

Quantum Fourier transform (QFT) is a widely used building block for quantum algorithms, whose scalable implementation is challenging in experiments. Here, we propose a protocol of quadratic quantum Fourier transform (QQFT), considering cold…

Quantum Physics · Physics 2022-11-02 Pei Wang , Zhijuan Huang , Xingze Qiu , Xiaopeng Li