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We propose a quantum inverse iteration algorithm which can be used to estimate the ground state properties of a programmable quantum device. The method relies on the inverse power iteration technique, where the sequential application of the…

Quantum Physics · Physics 2020-01-22 Oleksandr Kyriienko

Quantum Mechanical ground states of many-body systems can be important resources for various investigations: for quantum sensing, as the initial state for nonequilibrium quantum dynamics following quenches, and the simulation of quantum…

Quantum Physics · Physics 2025-11-18 Prashasti Tiwari , Dylan Lewis , Sougato Bose

Thermal state preparation is a central challenge in the simulation of quantum many-body systems. Yet, provably efficient algorithms for this task were only introduced recently [Chen et al. Nature 646, 561 (2025)]. These algorithms are based…

Quantum Physics · Physics 2026-05-06 Christopher Ong , S. A. Parameswaran , Benedikt Placke , Dominik Hahn

We present a cooling algorithm for ground state preparation of fermionic Hamiltonians. Our algorithm makes use of the Hamiltonian simulation of the considered system coupled to an ancillary fridge, which is regularly reset to its known…

Quantum Physics · Physics 2025-02-19 Lucas Marti , Refik Mansuroglu , Michael J. Hartmann

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.…

We investigate quantum thermal state preparation algorithms based on system-bath interactions and uncover a surprising phenomenon in the weak-coupling regime. We rigorously prove that, if the system-bath interaction is engineered so that…

Quantum Physics · Physics 2026-05-18 Hongrui Chen , Zhiyan Ding , Ruizhe Zhang

We extend and benchmark the recently-developed Effective-Hamiltonian (EFFH) method [PRX Quantum $\bf{4}$, 020307 (2023)] as an approximation to the equilibrium state ("mean-force Gibbs state") of a quantum system at strong coupling to a…

Statistical Mechanics · Physics 2023-10-03 Nicholas Anto-Sztrikacs , Brett Min , Marlon Brenes , Dvira Segal

Utilizing quantum computer to investigate quantum chemistry is an important research field nowadays. In addition to the ground-state problems that have been widely studied, the determination of excited-states plays a crucial role in the…

Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…

Quantum Physics · Physics 2011-03-08 James D. Whitfield , Jacob Biamonte , Alán Aspuru-Guzik

Quantum technologies require pure states, which are often generated by extreme refrigeration. Heat-bath algorithmic cooling is the theoretically optimal refrigeration technique: it shuttles entropy from a multiparticle system to a thermal…

Quantum Physics · Physics 2023-02-10 Aaron Z. Goldberg , Khabat Heshami

We introduce a method for digital preparation of ground states of simulated Hamiltonians, inspired by cooling in nature and adapted to leverage the capabilities of digital quantum hardware. The cold bath is simulated by a single ancillary…

Quantum Physics · Physics 2023-04-12 Stefano Polla , Yaroslav Herasymenko , Thomas E. O'Brien

Quantum algorithms for ground-state energy estimation of chemical systems require a high-quality initial state. However, initial state preparation is commonly either neglected entirely, or assumed to be solved by a simple product state like…

We consider a discrete quantum system coupled to a finite bath, which may consist of only one particle, in contrast to the standard baths which usually consist of continua of oscillators, spins, etc. We find that such finite baths may…

Quantum Physics · Physics 2007-05-23 Jochen Gemmer , Mathias Michel

The preparation of Gibbs thermal states is an important task in quantum computation with applications in quantum simulation, quantum optimization, and quantum machine learning. However, many algorithms for preparing Gibbs states rely on…

Quantum Physics · Physics 2022-03-25 Ada Warren , Linghua Zhu , Nicholas J. Mayhall , Edwin Barnes , Sophia E. Economou

Controlled quantum mechanical devices provide a means of simulating more complex quantum systems exponentially faster than classical computers. Such "quantum simulators" rely heavily upon being able to prepare the ground state of…

Quantum Physics · Physics 2012-08-01 Dvir Kafri , Jacob M. Taylor

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

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

In this paper we develop a quantum algorithm to realize finite temperature simulation on a quantum computer. As quantum computers use real-time evolution we did not use the imaginary time methods popular on classical algorithms. Instead, we…

Quantum Physics · Physics 2019-11-11 Raffaele Miceli , Michael McGuigan

We present a quantum-classical hybrid algorithm for calculating the ground state and its energy of the quantum many-body Hamiltonian by proposing an adaptive construction of a quantum state for the quantum-selected configuration interaction…

Quantum Physics · Physics 2024-12-12 Yuya O. Nakagawa , Masahiko Kamoshita , Wataru Mizukami , Shotaro Sudo , Yu-ya Ohnishi

In this work, we study the pairing Hamiltonian with four particles at finite temperatures on a quantum simulator and a superconducting quantum computer. The excited states are obtained by the variational quantum deflation (VQD). The…

Nuclear Theory · Physics 2023-04-26 Chongji Jiang , Junchen Pei