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Related papers: Efficient heat-bath sampling in Fock space

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Quantum metrology uses non-classical states, such as Fock states with a specific number of photons, to achieve an advantage over classical sensing methods. Typically, quantum metrological performance can be enhanced by increasing the…

A quantum system coupled to a bath at some fixed, finite temperature converges to its Gibbs state. This thermalization process defines a natural, physically-motivated model of quantum computation. However, whether quantum computational…

Quantum Physics · Physics 2025-01-15 Thiago Bergamaschi , Chi-Fang Chen , Yunchao Liu

A statistical method is derived for the calculation of thermodynamic properties of many-body systems at low temperatures. This method is based on the self-healing diffusion Monte Carlo method for complex functions [F. A. Reboredo J. Chem.…

Other Condensed Matter · Physics 2014-03-05 Fernando A. Reboredo , Jeongnim Kim

High-quality random samples of quantum states are needed for a variety of tasks in quantum information and quantum computation. Searching the high-dimensional quantum state space for a global maximum of an objective function with many local…

Quantum Physics · Physics 2015-04-28 Jiangwei Shang , Yi-Lin Seah , Hui Khoon Ng , David John Nott , Berthold-Georg Englert

Preparation of quantum thermal states of many-body systems is a key computational challenge for quantum processors, with applications in physics, chemistry, and classical optimization. We provide a simple and efficient algorithm for thermal…

Quantum Physics · Physics 2026-03-18 Jerome Lloyd , Dmitry A. Abanin

We present an exact derivation of a process in which a microscopic measured system interacts with heat-bath and pointer modes of a measuring device, via a coupling involving a general Hermitian operator $\Lambda$ of the system. In the limit…

Mesoscale and Nanoscale Physics · Physics 2016-08-31 Dima Mozyrsky , Vladimir Privman

The exact and phaseless variants of Auxiliary-Field Quantum Monte Carlo (AFQMC) have been shown to be capable of producing accurate ground-state energies for a wide variety of systems including those which exhibit substantial electron…

Chemical Physics · Physics 2017-07-25 James Shee , Shiwei Zhang , David R. Reichman , Richard A. Friesner

We demonstrate the application of the Metropolis-Hastings algorithm to sampling of classical thermal states of one-dimensional Bose-Einstein quasicondensates in the classical fields approximation, both in untrapped and harmonically trapped…

Quantum Gases · Physics 2014-06-12 Pjotrs Grišins , Igor E Mazets

The recently developed density matrix quantum Monte Carlo (DMQMC) algorithm stochastically samples the N -body thermal density matrix and hence provides access to exact properties of many-particle quantum systems at arbitrary temperatures.…

Strongly Correlated Electrons · Physics 2015-10-15 Fionn D. Malone , N. S. Blunt , James J. Shepherd , D. K. K. Lee , J. S. Spencer , W. M. C. Foulkes

We introduce an efficient approach to implement correlated many-body trial wave functions in auxiliary-field quantum Monte Carlo (AFQMC). To control the sign/phase problem in AFQMC, a constraint is derived from an exact gauge condition but…

Strongly Correlated Electrons · Physics 2025-10-27 Zhi-Yu Xiao , Zixiang Lu , Yixiao Chen , Tao Xiang , Shiwei Zhang

The study of ground-state properties of the Fermi-Hubbard model is a long-lasting task in the research of strongly correlated systems. Owing to the exponentially growing complexity of the system, a quantitative analysis usually demands high…

Strongly Correlated Electrons · Physics 2023-08-15 Yue-Ran Shi , Yuan-Yao He , Ruijin Liu , Wei Zhang

We present a method for quantum state tomography that enables the efficient estimation, with fixed precision, of any of the matrix elements of the density matrix of a state, provided that the states from the basis in which the matrix is…

Quantum Physics · Physics 2015-06-12 Ariel Bendersky , Juan Pablo Paz

We present a new approach to the study of equilibrium properties in many-body quantum physics. Our method takes inspiration from Density Matrix Quantum Monte Carlo and incorporates new crucial features. First of all, the dynamics is…

Quantum Physics · Physics 2022-01-06 Romain Chessex , Massimo Borrelli , Hans Christian Öttinger

Ensuring a satisfactory statistical convergence of anharmonic thermodynamic properties requires sampling of many atomic configurations, however the methods to obtain those necessarily produce correlated samples, thereby reducing the…

Statistical Mechanics · Physics 2022-06-07 Erki Metsanurk

We consider the problem of estimating the energy of a quantum state preparation for a given Hamiltonian in Pauli decomposition. For various quantum algorithms, in particular in the context of quantum chemistry, it is crucial to have energy…

Quantum Physics · Physics 2025-08-20 Alexander Gresch , Uğur Tepe , Martin Kliesch

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

We describe the implementation of the frozen-orbital and downfolding approximations in the auxiliary-field quantum Monte Carlo (AFQMC) method. These approaches can provide significant computational savings compared to fully correlating all…

Computational Physics · Physics 2013-11-18 Wirawan Purwanto , Shiwei Zhang , Henry Krakauer

Nonequilibrium dynamics of quantum many-body systems is challenging for classical computing, providing opportunities for demonstrating practical quantum computational advantage with analogue quantum simulators. Owing to the intimate…

While quantum computers are capable of simulating many quantum systems efficiently, the simulation algorithms must begin with the preparation of an appropriate initial state. We present a method for generating physically relevant quantum…

Quantum Physics · Physics 2009-05-29 Nicholas J. Ward , Ivan Kassal , Alán Aspuru-Guzik

We propose a state-averaged orbital optimization scheme for improving the accuracy of excited states of the electronic structure Hamiltonian for use on near-term quantum computers. Instead of parameterizing the orbital rotation operator in…

Chemical Physics · Physics 2024-04-09 Joel Bierman , Yingzhou Li , Jianfeng Lu