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Obtaining precise estimates of quantum observables is a crucial step of variational quantum algorithms. We consider the problem of estimating expectation values of molecular Hamiltonians, obtained on states prepared on a quantum computer.…

Quantum Physics · Physics 2020-06-30 Charles Hadfield , Sergey Bravyi , Rudy Raymond , Antonio Mezzacapo

Predicting observables in equilibrium states is a central yet notoriously hard question in quantum many-body systems. In the physically relevant thermodynamic limit, certain mathematical formulations of this task have even been shown to…

Quantum Physics · Physics 2025-08-15 Hamza Fawzi , Omar Fawzi , Samuel O. Scalet

Solving non-Hermitian quantum many-body systems on a quantum computer by minimizing the variational energy is challenging as the energy can be complex. Here, based on energy variance, we propose a variational method for solving the…

Quantum Physics · Physics 2024-02-21 Xu-Dan Xie , Zheng-Yuan Xue , Dan-Bo Zhang

In variational quantum algorithms (VQAs), the most common objective is to find the minimum energy eigenstate of a given energy Hamiltonian. In this paper, we consider the general problem of finding a sufficient control Hamiltonian structure…

Most literature in the Variational Quantum Eigensolver (VQE) algorithm focuses on finding the ground state of a physical system, by minimizing a quantum-computed cost-function. When excited states are required, the cost-function is usually…

Quantum Physics · Physics 2022-04-12 Kyle Sherbert , Marco Buongiorno Nardelli

Quantum Computing allows, in principle, the encoding of the exponentially scaling many-electron wave function onto a linearly scaling qubit register, offering a promising solution to overcome the limitations of traditional quantum chemistry…

Quantum Physics · Physics 2025-10-21 C. Feniou , O. Adjoua , B. Claudon , J. Zylberman , E. Giner , J. -P. Piquemal

We propose a hybrid quantum-classical algorithm for approximating the ground state and ground state energy of a Hamiltonian. Once the Ansatz has been decided, the quantum part of the algorithm involves the calculation of two overlap…

Quantum Physics · Physics 2020-10-13 Kishor Bharti

The simulation of molecular electronic structure is an important application of quantum devices. Recently, it has been shown that quantum devices can be effectively combined with classical supercomputing centers in the context of the…

Quantum Physics · Physics 2025-02-28 Stefano Barison , Javier Robledo Moreno , Mario Motta

We develop a quantum-inspired numerical procedure for searching low-energy states of a classical Hamiltonian composed of two-body fully-connected random Ising interactions and a random local longitudinal magnetic field. In this method, we…

Statistical Mechanics · Physics 2022-03-21 Hiroshi Ueda , Yuichi Otsuka , Seiji Yunoki

Preparing the ground state of a system is an important task in physics. We propose a quantum algorithm for preparing the ground state of a physical system that can be simulated on a quantum computer. The system is coupled to an ancillary…

Quantum Physics · Physics 2018-05-14 Hefeng Wang

We introduce excited local quantum annealing (ExcLQA), a classical, physics-inspired algorithm that extends local quantum annealing (LQA) to identify excited states of classical Ising Hamiltonians. LQA simulates quantum annealing while…

Quantum Physics · Physics 2025-07-17 Erik Altelarrea-Ferré , Júlia Barberà-Rodríguez , David Jansen , Antonio Acín

Quantum algorithms require accurate representations of electronic states on a quantum device, yet the approximation of electronic wave functions for strongly correlated systems remains a profound theoretical challenge, with existing methods…

Quantum Physics · Physics 2025-04-29 Dipanjali Halder , Dibyendu Mondal , Rahul Maitra

We present a recurrent neural network-based approach for ground state preparation utilizing mid-circuit measurement and feedback. Unlike previous methods that use machine learning solely as an optimizer, our approach dynamically adjusts…

Quantum Physics · Physics 2025-02-26 Chuanxin Wang , Yi-Zhuang You

Time-dependent response theories are foundational to the development of algorithms that determine quantum properties of electronic excited states of molecules and periodic systems. They are employed in wave-function, density-functional, and…

Chemical Physics · Physics 2022-11-23 Martín A. Mosquera

The performance of the quantum approximate optimization algorithm is evaluated by using three different measures: the probability of finding the ground state, the energy expectation value, and a ratio closely related to the approximation…

Quantum Physics · Physics 2020-06-08 Madita Willsch , Dennis Willsch , Fengping Jin , Hans De Raedt , Kristel Michielsen

Quantum algorithms have been developed for efficiently solving linear algebra tasks. However, they generally require deep circuits and hence universal fault-tolerant quantum computers. In this work, we propose variational algorithms for…

Quantum Physics · Physics 2021-12-28 Xiaosi Xu , Jinzhao Sun , Suguru Endo , Ying Li , Simon C. Benjamin , Xiao Yuan

Quantum Phase Estimation (QPE), the quantum algorithm for estimating eigenvalues of a given Hermitian matrix and preparing its eigenvectors, is considered the most promising approach to finding the ground states and their energies of…

New algorithm for quantum state estimation based on the maximum likelihood estimation is proposed. Existing techniques for state reconstruction based on the inversion of measured data are shown to be overestimated since they do not…

Quantum Physics · Physics 2009-10-30 Zdenek Hradil

Solutions to many-body problem instances often involve an intractable number of degrees of freedom and admit no known approximations in general form. In practice, representing quantum-mechanical states of a given Hamiltonian using available…

Quantum Physics · Physics 2020-11-10 Andrey Kardashin , Alexey Uvarov , Dmitry Yudin , Jacob Biamonte

We discuss a model for quantum computing with initially mixed states. Although such a computer is known to be less powerful than a quantum computer operating with pure (entangled) states, it may efficiently solve some problems for which no…

Quantum Physics · Physics 2015-03-17 Michael Siomau , Stephan Fritzsche