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The preparation of an equilibrium thermal state of a quantum many-body system on noisy intermediate-scale quantum (NISQ) devices is an important task in order to extend the range of applications of quantum computation. Faithful Gibbs state…

We compare recently proposed methods to compute the electronic state energies of the water molecule on a quantum computer. The methods include the phase estimation algorithm based on Trotter decomposition, the phase estimation algorithm…

Quantum Physics · Physics 2019-07-24 Teng Bian , Daniel Murphy , Rongxin Xia , Ammar Daskin , Sabre Kais

In the current Noisy Intermediate-Scale Quantum era, noise is widely regarded as the primary obstacle to achieving fault-tolerant quantum computation. However, certain stages of the quantum computing pipeline can, in fact, benefit from this…

Quantum Physics · Physics 2025-12-18 Sameer Dambal , Yu Zhang , Eric R Bittner , Pavan Hosur

Trotterization is one of the central approaches for simulating quantum many-body dynamics on quantum computers or tensor networks. In addition to its simple implementation, recent studies have revealed that its error and cost can be reduced…

Quantum Physics · Physics 2025-10-17 Kaoru Mizuta , Tomotaka Kuwahara

The Fermi-Hubbard model is a fundamental model in condensed matter physics that describes strongly correlated electrons. On the other hand, quantum computers are emerging as powerful tools for exploring the complex dynamics of these quantum…

Quantum Physics · Physics 2026-05-27 Talal Ahmed Chowdhury , Vladimir Korepin , Vincent R. Pascuzzi , Kwangmin Yu

Systems in thermal equilibrium at non-zero temperature are described by their Gibbs state. For classical many-body systems, the Metropolis-Hastings algorithm gives a Markov process with a local update rule that samples from the Gibbs…

Quantum Physics · Physics 2023-09-20 Daniel Zhang , Jan Lukas Bosse , Toby Cubitt

Simulating vibrational dynamics is essential for understanding molecular structure, unlocking useful applications such as vibrational spectroscopy for high-fidelity chemical detection. Quantum algorithms for vibrational dynamics are…

Sampling from Gibbs states -- states corresponding to system in thermal equilibrium -- has recently been shown to be a task for which quantum computers are expected to achieve super-polynomial speed-up compared to classical computers,…

Quantum Physics · Physics 2026-01-28 Joel Rajakumar , James D. Watson

The partition function is an essential quantity in statistical mechanics, and its accurate computation is a key component of any statistical analysis of quantum system and phenomenon. However, for interacting many-body quantum systems, its…

Quantum Physics · Physics 2022-11-16 Yusen Wu , Jingbo Wang

Quantum Gibbs state sampling algorithms generally suffer from either scaling exponentially with system size or requiring specific knowledge of spectral properties \textit{a priori}. Also, these algorithms require a large overhead of bath or…

Quantum Physics · Physics 2020-09-02 Jeffrey Cohn , Khadijeh Sona Najafi , Forest Yang , Barbara Jones , James K. Freericks

Despite its simplicity and strong theoretical guarantees, adiabatic state preparation has received considerably less interest than variational approaches for the preparation of low-energy electronic structure states. Two major reasons for…

Quantum Physics · Physics 2025-02-19 Etienne Granet , Khaldoon Ghanem , Henrik Dreyer

Convergence of path integral simulations requires a substantial number of beads when quantum effects are significant. Traditional Trotter scaling approaches estimate the continuum limit through extrapolation, however they are restricted to…

Statistical Mechanics · Physics 2024-05-28 Sabry G Moustafa

A measurement-based quantum computer could consist of a local-gapped Hamiltonian system, whose thermal states --at sufficiently low temperature-- are universal resources for the computation. Initialization of the computer would correspond…

Quantum Physics · Physics 2015-06-18 G. H. Aguilar , T. Kolb , D. Cavalcanti , L. Aolita , R. Chaves , S. P. Walborn , P. H. Souto Ribeiro

Tasks such as classification of data and determining the groundstate of a Hamiltonian cannot be carried out through purely unitary quantum evolution. Instead, the inherent non-unitarity of the measurement process must be harnessed.…

Quantum Physics · Physics 2023-04-24 Lewis Wright , Fergus Barratt , James Dborin , George H. Booth , Andrew G. Green

We present classical and quantum algorithms for approximating partition functions of classical Hamiltonians at a given temperature. Our work has two main contributions: first, we modify the classical algorithm of \v{S}tefankovi\v{c},…

We study the complexity of estimating the partition function $\mathsf{Z}(\beta)=\sum_{x\in\chi} e^{-\beta H(x)}$ for a Gibbs distribution characterized by the Hamiltonian $H(x)$. We provide a simple and natural lower bound for quantum…

Quantum Physics · Physics 2024-04-10 Zherui Chen , Giacomo Nannicini

Efficient simulation of many-body quantum systems is central to advances in physics, chemistry, and quantum computing, with a key question being whether the simulation cost scales polynomially with the system size. In this work, we analyze…

Quantum Physics · Physics 2026-03-31 Di Fang , Xiaoxu Wu , Avy Soffer

We consider Hamiltonian simulation using the first order Lie-Trotter product formula under the assumption that the initial state has a high overlap with an energy eigenstate, or a collection of eigenstates in a narrow energy band. This…

Quantum Physics · Physics 2021-02-26 Changhao Yi , Elizabeth Crosson

We describe an algorithm for using a quantum computer to calculate mean values of observables and the partition function of a quantum system. Our algorithm includes two sub-algorithms. The first sub-algorithm is for calculating, with…

Quantum Physics · Physics 2010-11-10 Robert R. Tucci

We develop a numerical method based on matrix product states for simulating quantum many-body systems at finite temperatures without importance sampling and evaluate its performance in spin 1/2 systems. Our method is an extension of the…

Strongly Correlated Electrons · Physics 2021-07-27 Shimpei Goto , Ryui Kaneko , Ippei Danshita