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Related papers: Towards near-term quantum simulation of materials

200 papers

Quantum noise in real-world devices poses a significant challenge in achieving practical quantum advantage, since accurately compiled and executed circuits are typically deep and highly susceptible to decoherence. To facilitate the…

Quantum Physics · Physics 2025-06-13 Yuchen Guo , Shuo Yang

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

In this work we propose an approach for implementing time-evolution of a quantum system using product formulas. The quantum algorithms we develop have provably better scaling (in terms of gate complexity and circuit depth) than a naive…

Quantum simulation algorithms often require numerous ancilla qubits and deep circuits, prohibitive for near-term hardware. We introduce a framework for simulating quantum channels using ensembles of low-depth circuits in place of many-qubit…

Quantum Physics · Physics 2024-08-01 Joseph Peetz , Scott E. Smart , Prineha Narang

Various Hamiltonian simulation algorithms have been proposed to efficiently study the dynamics of quantum systems on a quantum computer. The existing algorithms generally approximate the time evolution operators, which may need a deep…

Quantum Physics · Physics 2024-03-14 Zi-Jian Zhang , Jinzhao Sun , Xiao Yuan , Man-Hong Yung

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

This work aims to address the bottleneck issues of hardware resource limitation and decoherence error in the Hamiltonian simulation of quantum fluids, which are caused by the standard quantum Fourier transform and the evolution of momentum…

Quantum Physics · Physics 2026-04-21 Zhiyuan Zhang , Bolin Zhang , Yongguang Lv , Ruiqing He , Hengliang Guo , Jiandong Shang , Qiang Chen

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

The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules that can be obtained from a set of atomic species grow…

Near-term quantum simulators are mostly based on qubit-based architectures. However, their imperfect nature significantly limits their practical application. The situation is even worse for simulating fermionic systems, which underlie most…

Quantum Physics · Physics 2023-11-29 Qingyu Li , Chiranjib Mukhopadhyay , Abolfazl Bayat

The implementation and practicality of quantum algorithms highly hinge on the quality of operations within a quantum processor. Therefore, including realistic error models in quantum computing simulation platforms is crucial for testing…

Quantum Physics · Physics 2021-04-12 Ahmed Abid Moueddene , Nader Khammassi , Koen Bertels , Carmen G. Almudever

Accurate simulations of vibrational molecular spectra are expensive on conventional computers. Compared to the electronic structure problem, the vibrational structure problem with quantum computers is less investigated. In this work we…

Combinatorial optimization is a promising application for near-term quantum computers, however, identifying performant algorithms suited to noisy quantum hardware remains as an important goal to potentially realizing quantum computational…

Quantum Physics · Physics 2025-04-01 Titus D. Morris , Ananth Kaushik , Martin Roetteler , Phillip C. Lotshaw

We develop randomized quantum algorithms to simulate quantum collision models, also known as repeated interaction schemes, which provide a rich framework to model various open-system dynamics. The underlying technique involves composing…

Quantum Physics · Physics 2025-08-20 Kushagra Garg , Zeeshan Ahmed , Subhadip Mitra , Shantanav Chakraborty

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

We develop new algorithms for Quantum Singular Value Transformation (QSVT), a unifying framework that encapsulates most known quantum algorithms and serves as the foundation for new ones. Existing implementations of QSVT rely on block…

Many promising quantum applications depend on the efficient quantum simulation of an exponentially large sparse Hamiltonian, a task known as sparse Hamiltonian simulation, which is fundamentally important in quantum computation. Although…

Quantum Physics · Physics 2025-09-16 Jiaqi Leng , Joseph Li , Yuxiang Peng , Xiaodi Wu

Simulating strongly correlated fermionic systems is notoriously hard on classical computers. An alternative approach, as proposed by Feynman, is to use a quantum computer. Here, we discuss quantum simulation of strongly correlated fermionic…

Quantum Physics · Physics 2018-05-02 Zhang Jiang , Kevin J. Sung , Kostyantyn Kechedzhi , Vadim N. Smelyanskiy , Sergio Boixo

Over the last two decades, following the early developments on maximally localized Wannier functions, an ecosystem of electronic-structure simulation techniques and software packages leveraging the Wannier representation has flourished.…

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