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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

Estimating the eigenstate properties of quantum systems is a long-standing, challenging problem for both classical and quantum computing. Existing universal quantum algorithms typically rely on ideal and efficient query models (e.g. time…

Quantum Physics · Physics 2026-01-21 Jinzhao Sun , Pei Zeng , Tom Gur , M. S. Kim

Efficiently estimating energy expectation values of quantum lattice systems on quantum computers is a crucial subroutine for various quantum algorithms, which can lead to significant overhead due to the high measurement shot numbers…

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

Recently, feedback-based quantum algorithms have been introduced to calculate the ground states of Hamiltonians, inspired by quantum Lyapunov control theory. This paper aims to generalize these algorithms to the problem of calculating an…

Quantum Physics · Physics 2026-01-21 Salahuddin Abdul Rahman , Özkan Karabacak , Rafal Wisniewski

A projective measurement of energy (PME) on a quantum system is a quantum measurement, determined by the Hamiltonian of the system. PME protocols exist when the Hamiltonian is given in advance. Unknown Hamiltonians can be identified by…

Quantum Physics · Physics 2015-05-20 Shojun Nakayama , Akihito Soeda , Mio Murao

We introduce an unsupervised machine-learning framework that discovers optimally compressed representations of quantum many-body ground states. Using an autoencoder neural network architecture on data from $L$-site Fermi-Hubbard models, we…

Quantum Physics · Physics 2025-12-15 Felix Frohnert , Emiel Koridon , Stefano Polla

Quantum Imaginary-Time Evolution (QITE) is a powerful method for preparing ground states on quantum hardware. However, executing QITE has costly measurement budgets for general Hamiltonians. Both fidelity and computational cost are strongly…

Quantum Physics · Physics 2025-12-12 Julio Del Castillo , Mats Granath , Evert van Nieuwenburg

Solving the electronic structure problem via unitary evolution of the electronic Hamiltonian is one of the promising applications of digital quantum computers. One of the practical strategies to implement the unitary evolution is via…

Quantum Physics · Physics 2023-08-23 Luis A. Martínez-Martínez , Tzu-Ching Yen , Artur F. Izmaylov

We consider performing phase estimation under the following conditions: we are given only one copy of the input state, the input state does not have to be an eigenstate of the unitary, and the state must not be measured. Most quantum…

Quantum Physics · Physics 2022-12-13 Patrick Rall

Quantum algorithms for diverse problems, including search and optimization problems, require the implementation of a reflection operator over a target state. Commonly, such reflections are approximately implemented using phase estimation.…

Quantum Physics · Physics 2018-03-08 Anirban Narayan Chowdhury , Yigit Subasi , Rolando D. Somma

We analyze a technique for the preparation of low entropy many body states of atoms in optical lattices based on adiabatic passage. In particular, we show that this method allows preparation of strongly correlated states as stable highest…

Gibbs state preparation is an important subroutine in quantum computing. In this work we use the detectability lemma to improve Gibbs state preparation. Specifically, we design new Gibbs state preparation methods that do not rely on…

Quantum Physics · Physics 2026-04-09 Di Fang , Jianfeng Lu , Yu Tong , Chu Zhao

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

Simulating fermionic systems on a quantum computer requires a high-performing mapping of fermionic states to qubits. A characteristic of an efficient mapping is its ability to translate local fermionic interactions into local qubit…

Quantum Physics · Physics 2023-10-25 Mitchell Chiew , Sergii Strelchuk

Preparing the ground states of a many-body system is essential for evaluating physical quantities and determining the properties of materials. This work provides a quantum ground state preparation scheme with shallow variational warm-start…

Quantum Physics · Physics 2023-03-21 Youle Wang , Chenghong Zhu , Mingrui Jing , Xin Wang

Quantum phase estimation plays a central role in quantum simulation as it enables the study of spectral properties of many-body quantum systems. Most variants of the phase estimation algorithm require the application of the global unitary…

Significant effort in applied quantum computing has been devoted to the problem of ground state energy estimation for molecules and materials. Yet, for many applications of practical value, additional properties of the ground state must be…

Quantum Physics · Physics 2022-07-13 Ruizhe Zhang , Guoming Wang , Peter Johnson

In the current noisy intermediate scale quantum era of quantum computation, available hardware is severely limited by both qubit count and noise levels, precluding the application of many current hybrid quantum-classical algorithms to…

Quantum Physics · Physics 2024-03-05 Maria-Andreea Filip

Many-body fermionic systems can be simulated in a hardware-efficient manner using a fermionic quantum processor. Neutral atoms trapped in optical potentials can realize such processors, where non-local fermionic statistics are guaranteed at…

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