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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

Quantum state discrimination (QSD) is a fundamental task in quantum information processing with numerous applications. We present a variational quantum algorithm that performs the minimum-error QSD, called the variational quantum state…

Quantum Physics · Physics 2024-08-12 Dongkeun Lee , Kyunghyun Baek , Joonsuk Huh , Daniel K. Park

We propose a state-specific orbital optimization scheme for improving the accuracy of excited states of the electronic structure Hamiltonian for the use on near-term quantum computers, which can be combined with any overlap-based…

Quantum Physics · Physics 2025-10-16 Guorui Zhu , Joel Bierman , Jianfeng Lu , Yingzhou Li

For a large number of tasks, quantum computing demonstrates the potential for exponential acceleration over classical computing. In the NISQ era, variable-component subcircuits enable applications of quantum computing. To reduce the…

Quantum Physics · Physics 2022-12-12 Junhan Qin

Quantum state tomography (QST) is plagued by the ``curse of dimensionality'' due to the exponentially-scaled complexity in measurement and data post-processing. Efficient QST schemes for large-scale mixed states are currently missing. In…

Quantum Physics · Physics 2023-08-15 Wen-jun Li , Kai Xu , Heng Fan , Shi-ju Ran , Gang Su

Quantum Monte Carlo coupled with neural network wavefunctions has shown success in computing ground states of quantum many-body systems. Existing optimization approaches compute the energy by sampling local energy from an explicit…

Computational Physics · Physics 2023-05-29 Xuan Zhang , Shenglong Xu , Shuiwang Ji

Recent studies to solve nuclear structure problems using quantum computers rely on a quantum algorithm known as Variational Quantum Eigensolver (VQE). In this study, we calculate the correlation energy in Helium-6 using VQE, with a…

Quantum Physics · Physics 2024-06-25 Ching-Hwa Wee , Meng-Hock Koh , Yung Szen Yap

We investigate the use of variational wave-functions that mimic stochastic recurrent neural networks, specifically, unrestricted Boltzmann machines, as guiding functions in projective quantum Monte Carlo (PQMC) simulations of quantum spin…

Statistical Mechanics · Physics 2018-12-27 E. M. Inack , G. E. Santoro , L. Dell'Anna , S. Pilati

Neural quantum states (NQS) have emerged as a promising approach to solve second-quantized Hamiltonians, because of their scalability and flexibility. In this work, we design and benchmark an NQS impurity solver for the quantum embedding…

Strongly Correlated Electrons · Physics 2026-03-16 Yinzhanghao Zhou , Tsung-Han Lee , Ao Chen , Nicola Lanatà , Hong Guo

Quantum computing (QC) provides a promising avenue toward enabling quantum chemistry calculations, which are classically impossible due to a computational complexity that increases exponentially with system size. As fully fault-tolerant…

We calculate ground-state properties of a many-quark system in the string-flip model using variational Monte Carlo methods. The many-body potential energy of the system is determined by finding the optimal grouping of quarks into hadrons.…

Nuclear Theory · Physics 2009-10-22 George M. Frichter , J. Piekarewicz

We present error mitigation (EM) techniques for noisy intermediate-scale quantum computers (QC) based on density matrix purification and perturbative corrections to the target energy. We incorporate this scheme into the variational quantum…

Quantum Physics · Physics 2019-12-04 T. D. Morris , Z. P. Parks , A. J. McCaskey , J. Jakowski , R. C. Pooser

The possible state space dimension increases exponentially with respect to the number of qubits. This feature makes the quantum state tomography expensive and impractical for identifying the state of merely several qubits. The recent…

Information Theory · Computer Science 2014-01-28 Kezhi Li , Shuang Cong

The task of classifying the entanglement properties of a multipartite quantum state poses a remarkable challenge due to the exponentially increasing number of ways in which quantum systems can share quantum correlations. Tackling such…

Quantum Physics · Physics 2020-06-24 Cillian Harney , Stefano Pirandola , Alessandro Ferraro , Mauro Paternostro

Neural quantum states (NQS) provide flexible and compact wavefunction parameterizations for numerical studies of quantum many-body physics. In particular, NQS aim to circumvent the exponential scaling of the Hilbert space by compressing…

Disordered Systems and Neural Networks · Physics 2026-03-17 M. Schuyler Moss , Alev Orfi , Christopher Roth , Anirvan M. Sengupta , Antoine Georges , Dries Sels , Anna Dawid , Agnes Valenti

Quantum Variational Circuits (QVCs) are often claimed as one of the most potent uses of both near term and long term quantum hardware. The standard approaches to optimizing these circuits rely on a classical system to compute the new…

Quantum Physics · Physics 2022-02-11 Owen Lockwood

We propose a qubit efficient scheme to study ground state properties of quantum many-body systems on near-term noisy intermediate scale quantum computers. One can obtain a tensor network representation of the ground state using a number of…

Quantum Physics · Physics 2019-10-02 Jin-Guo Liu , Yi-Hong Zhang , Yuan Wan , Lei Wang

In recent years, the Variational Quantum Eigensolver (VQE) has emerged as one of the most popular algorithms for solving the electronic structure problem on near-term quantum computers. The utility of VQE is often hindered by the…

Quantum Physics · Physics 2026-02-04 M. R. Nirmal , Ankit Khandelwal , Manoj Nambiar , Sharma S. R. K. C. Yamijala

Sampling problems are widely regarded as the task for which quantum computers can most readily provide a quantum advantage. Leveraging this feature, the quantum-enhanced Markov chain Monte Carlo [Layden, D. et al., Nature 619, 282-287…

Quantum Physics · Physics 2026-02-26 Yuichiro Nakano , Ken N. Okada , Keisuke Fujii

Certain point defects in solids can efficiently be used as qubits for applications in quantum technology. They have spin states that are initializable, readable, robust, and can be manipulated optically. New theoretical methods are needed…

Computational Physics · Physics 2023-09-20 Kristoffer Simula , Ilja Makkonen
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