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Simulating quantum imaginary-time evolution (QITE) is a major promise of quantum computation. However, the known algorithms are either probabilistic (repeat until success) with impractically small success probabilities or coherent (quantum…

Quantum Physics · Physics 2023-11-02 Thais de Lima Silva , Márcio M. Taddei , Stefano Carrazza , Leandro Aolita

Green's function methods lead to ab initio, systematically improvable simulations of molecules and materials while providing access to multiple experimentally observable properties such as the density of states and the spectral function.…

Quantum Physics · Physics 2023-09-19 Diksha Dhawan , Dominika Zgid , Mario Motta

Gibbs-preserving operations have been studied as one of the standard free processes in quantum thermodynamics. Although they admit a simple mathematical structure, their operational significance has been unclear due to the potential hidden…

Quantum Physics · Physics 2025-05-13 Hiroyasu Tajima , Ryuji Takagi

Calculations at finite temperatures are fundamental in different scientific fields, from nuclear physics to condensed matter. Evolution in imaginary time is a prominent classical technique for preparing thermal states of quantum systems. We…

Quantum Physics · Physics 2023-06-30 Francesco Turro

Efficient sampling from a classical Gibbs distribution is an important computational problem with applications ranging from statistical physics over Monte Carlo and optimization algorithms to machine learning. We introduce a family of…

Quantum Physics · Physics 2021-09-08 Dominik S. Wild , Dries Sels , Hannes Pichler , Cristian Zanoci , Mikhail D. Lukin

Recently, there have been several advancements in quantum algorithms for Gibbs sampling. These algorithms simulate the dynamics generated by an artificial Lindbladian, which is meticulously constructed to obey a detailed-balance condition…

Quantum Physics · Physics 2025-12-02 Štěpán Šmíd , Richard Meister , Mario Berta , Roberto Bondesan

The imaginary-time evolution of quantum states is integral to various fields, ranging from natural sciences to classical optimization or machine learning. Since simulating quantum imaginary-time evolution generally requires storing an…

Quantum Physics · Physics 2024-01-17 Julien Gacon , Christa Zoufal , Giuseppe Carleo , Stefan Woerner

We present an algorithm that prepares thermal Gibbs states of one dimensional quantum systems on a quantum computer without any memory overhead, and in a time significantly shorter than other known alternatives. Specifically, the time…

Quantum Physics · Physics 2010-10-29 Ersen Bilgin , Sergio Boixo

The quantum imaginary time evolution (QITE) methodology was developed to overcome a critical issue as regards non-unitarity in the implementation of imaginary time evolution on a quantum computer. QITE has since been used to approximate…

Quantum Physics · Physics 2024-09-20 Swagat Kumar , Colin Michael Wilmott

Calculating the properties of Gibbs states is an important task in Quantum Chemistry and Quantum Machine Learning. Previous work has proposed a quantum algorithm which predicts Gibbs state expectation values for $M$ observables from only…

Quantum Physics · Physics 2024-09-10 Arnav Sharma , Kevin Obenland

Under the Ansatz that the occupation times of a system with finitely many states are given by the Gibbs distribution, an effective temperature is uniquely determined (up to a choice of scale), and may be computed de novo, without any…

Statistical Mechanics · Physics 2009-04-27 Steve Huntsman

The problem of simulating the thermal behavior of quantum systems remains a central open challenge in quantum computing. Unlike well-established quantum algorithms for unitary dynamics, \emph{provably efficient} algorithms for preparing…

Quantum Physics · Physics 2026-05-14 Dominik Hahn , Ryan Sweke , Abhinav Deshpande , Oles Shtanko

Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…

Materials Science · Physics 2020-07-07 He Ma , Marco Govoni , Giulia Galli

The exponential and Gaussian functions are among the most fundamental and important operations, appearing ubiquitously throughout all areas of science, engineering, and mathematics. Whereas formally, it is well-known that any function may…

Quantum Physics · Physics 2021-10-13 Bill Poirier

Computation of the Green's function is crucial to study the properties of quantum many-body systems such as strongly correlated systems. Although the high-precision calculation of the Green's function is a notoriously challenging task on…

Preparing ground states and thermal states is essential for simulating quantum systems on quantum computers. Despite the hope for practical quantum advantage in quantum simulation, popular state preparation approaches have been challenged.…

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

Evolution in imaginary time is a prominent technique for finding the ground state of quantum many-body systems, and the heart of a number of numerical methods that have been used with great success in quantum chemistry, condensed matter and…

Gibbs states are known to play a crucial role in the statistical description of a system with a large number of degrees of freedom. They are expected to be vital also in a quantum gravitational system with many underlying fundamental…

General Relativity and Quantum Cosmology · Physics 2018-07-05 Isha Kotecha , Daniele Oriti

We analyze the complexity of the quantum optimization algorithm based on adiabatic evolution for the set partition problem. We introduce a cost function defined on a logarithmic scale of the partition residues so that the total number of…

Quantum Physics · Physics 2007-05-23 V. N. Smelyanskiy , U. V. Toussaint , D. A. Timucin