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Contextuality, one of the strongest forms of quantum correlations, delineates the quantum world and the classical one. It has been shown recently that some quantum models, in the form of infinite one-dimensional translation-invariant…

Quantum Physics · Physics 2025-06-10 Kaiyan Yang , Yanzheng Zhu , Xiao Zeng , Zuoheng Zou , Man-Hong Yung , Zizhu Wang

We present a quantum algorithm for simulating rovibrational Hamiltonians on fault-tolerant quantum computers. The method integrates exact curvilinear kinetic energy operators and general-form potential energy surfaces expressed in a hybrid…

Quantum Physics · Physics 2026-04-07 Michał Szczepanik , Ákos Nagy , Emil Żak

The energy gap is calculated for the ground state quantum computer circuit, which was recently proposed by Mizel et.al. When implementing a quantum algorithm by Hamiltonians containing only pairwise interaction, the inverse of energy gap…

Quantum Physics · Physics 2009-11-10 Wenjin Mao

Efficient sampling from ensembles of Hamiltonian cycles is critical for predicting the thermodynamic properties of compact polymers, with applications including modeling protein and RNA folding and designing soft materials. Although…

Quantum Physics · Physics 2026-03-16 Davide Rattacaso , Daniel Jaschke , Antonio Trovato , Ilaria Siloi , Simone Montangero

The performance of quantum algorithms for ground-state energy estimation is directly impacted by the quality of the initial state, where quality is traditionally defined in terms of the overlap of the input state with the target state. An…

Quantum machine learning algorithms have emerged to be a promising alternative to their classical counterparts as they leverage the power of quantum computers. Such algorithms have been developed to solve problems like electronic structure…

Chemical Physics · Physics 2021-10-29 Manas Sajjan , Shree Hari Sureshbabu , Sabre Kais

We describe a semidefinite relaxation method which finds lower bounds to the ground state energy of a quantum Hamiltonian subject to Hermitian linear constraints along with approximations of ground state expectation values. We show that…

Strongly Correlated Electrons · Physics 2026-05-29 Michael G. Scheer

Estimating ground state energies of many-body Hamiltonians is a central task in many areas of quantum physics. In this work, we give quantum algorithms which, given any $k$-body Hamiltonian $H$, compute an estimate for the ground state…

The ground state properties of quantum many-body systems are a subject of interest across chemistry, materials science, and physics. Thus, algorithms for finding ground states can have broad impacts. Variational quantum algorithms are one…

Quantum Physics · Physics 2023-09-28 James B. Larsen , Matthew D. Grace , Andrew D. Baczewski , Alicia B. Magann

We propose a new quantum computational way of obtaining a ground-state energy and expectation values of observables of interacting Hamiltonians. It is based on the combination of the adiabatic quantum evolution to project a ground state of…

Quantum Physics · Physics 2009-10-31 Sangchul Oh

Quantum algorithms for probing ground-state properties of quantum systems require good initial states. Projection-based methods such as eigenvalue filtering rely on inputs that have a significant overlap with the low-energy subspace, which…

Quantum Physics · Physics 2024-04-10 Danial Motlagh , Modjtaba Shokrian Zini , Juan Miguel Arrazola , Nathan Wiebe

The recent literature on near-term applications for quantum computers contains several examples of the applications of hybrid quantum/classical variational approaches. This methodology can be applied to a variety of optimization problems,…

Quantum Physics · Physics 2019-01-23 Giacomo Nannicini

A new efficient numerical algorithm for interacting fermion systems is proposed and examined in detail. The ground state is expressed approximately by a linear combination of numerically chosen basis states in a truncated Hilbert space. Two…

Strongly Correlated Electrons · Physics 2007-05-23 Tsuyoshi Kashima , Masatoshi Imada

We describe a quantum algorithm for preparing states that encode solutions of non-homogeneous linear partial differential equations. The algorithm is a continuous-variable version of matrix inversion: it efficiently inverts differential…

Quantum Physics · Physics 2019-09-11 Juan Miguel Arrazola , Timjan Kalajdzievski , Christian Weedbrook , Seth Lloyd

Under suitable assumptions, the quantum phase estimation (QPE) algorithm is able to achieve Heisenberg-limited precision scaling in estimating the ground state energy. However, QPE requires a large number of ancilla qubits and large circuit…

Quantum Physics · Physics 2022-02-04 Lin Lin , Yu Tong

Variational hybrid quantum-classical optimization represents one of the most promising avenue to show the advantage of nowadays noisy intermediate-scale quantum computers in solving hard problems, such as finding the minimum-energy state of…

Quantum Physics · Physics 2020-11-18 Laura Gentini , Alessandro Cuccoli , Stefano Pirandola , Paola Verrucchi , Leonardo Banchi

The performance of computational methods for many-body physics and chemistry is strongly dependent on the choice of basis used to cast the problem; hence, the search for better bases and similarity transformations is important for progress…

We introduce a quantum algorithm to efficiently prepare states with a small energy variance at the target energy. We achieve it by filtering a product state at the given energy with a Lorentzian filter of width $\delta$. Given a local…

Quantum Physics · Physics 2024-07-03 Reinis Irmejs , Mari Carmen Bañuls , J. Ignacio Cirac

The use of near-term quantum devices that lack quantum error correction, for addressing quantum chemistry and physics problems, requires hybrid quantum-classical algorithms and techniques. Here we present a process for obtaining the…

Quantum Physics · Physics 2023-08-14 Pejman Jouzdani , Stefan Bringuier

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