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We propose the regularized compressed double factorization (RC-DF) method to classically compute compressed representations of molecular Hamiltonians that enable efficient simulation with noisy intermediate scale (NISQ) and error corrected…

We provide a new paradigm for quantum simulation that is based on path integration that allows quantum speedups to be observed for problems that are more naturally expressed using the path integral formalism rather than the conventional…

Quantum Physics · Physics 2024-10-15 Serene Shum , Nathan Wiebe

For noisy intermediate-scale quantum (NISQ) devices only a moderate number of qubits with a limited coherence is available thus enabling only shallow circuits and a few time evolution steps in the currently performed quantum computations.…

Quantum Physics · Physics 2021-02-04 Diksha Dhawan , Mekena Metcalf , Dominika Zgid

Applications of quantum simulation algorithms to obtain electronic energies of molecules on noisy intermediate-scale quantum (NISQ) devices require careful consideration of resources describing the complex electron correlation effects. In…

Quantum Physics · Physics 2020-04-17 Mekena Metcalf , Nicholas P. Bauman , Karol Kowalski , Wibe A. de Jong

This paper presents a hybrid quantum-classical approach to prime factorization. The proposed algorithm is based on the Variational Quantum Eigensolver (VQE), which employs a classical optimizer to find the ground state of a given…

Quantum Physics · Physics 2025-03-21 Mona Sobhani , Yahui Chai , Tobias Hartung , Karl Jansen

We demonstrate a method that merges the quantum filter diagonalization (QFD) approach for hybrid quantum/classical solution of the time-independent electronic Schr\"odinger equation with a low-rank double factorization (DF) approach for the…

Quantum Physics · Physics 2022-03-21 Jeffrey Cohn , Mario Motta , Robert M. Parrish

Accurate determination of ground-state energies for molecules remains a challenge in quantum chemistry and a cornerstone for progress in fields such as drug discovery and materials design. The Variational Quantum Eigensolver (VQE)…

Variational quantum algorithms are promising applications of noisy intermediate-scale quantum (NISQ) computers. These algorithms consist of a number of separate prepare-and-measure experiments that estimate terms in a Hamiltonian. The…

Quantum Physics · Physics 2020-06-25 Andrew Zhao , Andrew Tranter , William M. Kirby , Shu Fay Ung , Akimasa Miyake , Peter Love

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 computing applications in the noisy intermediate-scale quantum (NISQ) era require algorithms that can generate shallower circuits feasible for today's quantum systems. This is particularly challenging for quantum chemistry…

Quantum variational algorithms (QVAs) are increasingly potent tools for simulating quantum many-body systems on noisy intermediate-scale quantum (NISQ) devices. This work examines the application of the Variational Quantum Eigensolver (VQE)…

Nuclear Theory · Physics 2026-01-28 Dhritimalya Roy , Somnath Nag

We present high-precision quantum computing simulations of three-body atoms (He, H$^-$) and molecules (H$_2^+$, HD$^+$), the latter being studied beyond the Born-Oppenheimer approximation. The Non-Iterative Disentangled Unitary Coupled…

Quantum Physics · Physics 2025-10-22 Mohammad Haidar , Hugo D. Nogueira , J. -Ph. Karr

Hybrid quantum-classical algorithms are among the most promising systems to implement quantum computing under the Noisy-Intermediate Scale Quantum (NISQ) technology. In this paper, at first, we investigate a quantum dynamics algorithm for…

Quantum Physics · Physics 2020-08-13 Mahmoud Mahdian , H. Davoodi Yeganeh

The state-of-the-art quantum computing hardware has entered the noisy intermediate-scale quantum (NISQ) era. Having been constrained by the limited number of qubits and shallow circuit depth, NISQ devices have nevertheless demonstrated the…

Quantum Physics · Physics 2022-06-23 Guanglei Xu , Yi-Bin Guo , Xuan Li , Zong-Sheng Zhou , Hai-Jun Liao , T. Xiang

In this work, we propose a quantum unitary downfolding formalism based on the driven similarity renormalization group (QDSRG) that may be combined with quantum algorithms for both noisy and fault-tolerant hardware. The QDSRG is a classical…

Quantum Physics · Physics 2022-08-19 Renke Huang , Chenyang Li , Francesco A. Evangelista

Quantum annealing (QA) is one of the efficient methods to calculate the ground-state energy of a problem Hamiltonian. In the absence of noise, QA can accurately estimate the ground-state energy if the adiabatic condition is satisfied.…

Quantum Physics · Physics 2022-10-18 Yuta Shingu , Tetsuro Nikuni , Shiro Kawabata , Yuichiro Matsuzaki

Quantum computing is a promising technology that harnesses the peculiarities of quantum mechanics to deliver computational speedups for some problems that are intractable to solve on a classical computer. Current generation noisy…

Numerical Analysis · Mathematics 2022-09-16 Daan Camps , Efekan Kökcü , Lindsay Bassman , Wibe A. de Jong , Alexander F. Kemper , Roel Van Beeumen

We consider the computation of the entanglement-assisted quantum rate-distortion function, which plays a central role in quantum information theory. We propose an efficient alternating minimization algorithm based on the Lagrangian…

Information Theory · Computer Science 2025-07-29 Lingyi Chen , Deheng Yuan , Wenyi Zhang , Hao Wu , Huihui Wu

Simulating the dynamics of many-body quantum systems is believed to be one of the first fields that quantum computers can show a quantum advantage over classical computers. Noisy intermediate-scale quantum (NISQ) algorithms aim at…

Quantum Physics · Physics 2021-05-19 Jonathan Wei Zhong Lau , Tobias Haug , Leong Chuan Kwek , Kishor Bharti

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…

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