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Quantum computers have demonstrated utility in simulating quantum systems beyond brute-force classical approaches. As the community builds on these demonstrations to explore using quantum computing for applied research, algorithms and…

In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…

Variational quantum algorithms on bosonic quantum processors are an emerging paradigm for quantum chemistry calculations, exploiting the natural alignment between molecular structure and harmonic oscillator-based hardware. We introduce the…

Quantum Physics · Physics 2026-04-21 Marlon F. Jost , Sijia S. Dong

The closest vector problem (CVP) is a fundamental optimization problem in lattice-based cryptography and its conjectured hardness underpins the security of lattice-based cryptosystems. Furthermore, Schnorr's lattice-based factoring…

Cryptography and Security · Computer Science 2025-10-23 Max O. Al-Hasso , Marko von der Leyen

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 propose a modification of the Variational Quantum Eigensolver algorithm for electronic structure optimization using quantum computers, named non-unitary Variational Quantum Eigensolver (nu-VQE), in which a non-unitary operator is…

Despite extensive research efforts, few quantum algorithms for classical optimization demonstrate realizable quantum advantage. The utility of many quantum algorithms is limited by high requisite circuit depth and nonconvex optimization…

Quantum Physics · Physics 2022-01-27 Taylor L. Patti , Jean Kossaifi , Anima Anandkumar , Susanne F. Yelin

We describe a generalization of the cluster-state model of quantum computation to continuous-variable systems, along with a proposal for an optical implementation using squeezed-light sources, linear optics, and homodyne detection. For…

Quantum computing (QC) has gained popularity due to its unique capabilities that are quite different from that of classical computers in terms of speed and methods of operations. This paper proposes hybrid models and methods that…

Quantum Physics · Physics 2019-11-12 Akshay Ajagekar , Travis Humble , Fengqi You

We recently proposed a novel approach to converging electronic energies equivalent to high-level coupled-cluster (CC) computations by combining the deterministic CC($P$;$Q$) formalism with the stochastic configuration interaction (CI) and…

Chemical Physics · Physics 2021-03-23 J. Emiliano Deustua , Jun Shen , Piotr Piecuch

Variational Monte Carlo (VMC) methods are used to sample classically from distributions corresponding to quantum states which have an efficient classical description. VMC methods are based on performing a number of steps of a Markov chain…

Quantum Physics · Physics 2023-10-27 Ashley Montanaro , Stasja Stanisic

The ground state pairing correlations in finite fermionic systems are described with a high degree of accuracy within a variational approach based on a combined coupled-cluster and particle-number-projected BCS ansatz. The flexibility of…

Nuclear Theory · Physics 2021-06-02 V. V. Baran , J. Dukelsky

Quantum computing is a promising paradigm based on quantum theory for performing fast computations. Quantum algorithms are expected to surpass their classical counterparts in terms of computational complexity for certain tasks, including…

Quantum algorithms are getting extremely popular due to their potential to significantly outperform classical algorithms. Yet, applying quantum algorithms to optimization problems meets challenges related to the efficiency of quantum…

In classical computational chemistry, the coupled-cluster ansatz is one of the most commonly used $ab~initio$ methods, which is critically limited by its non-unitary nature. The unitary modification as an ideal solution to the problem is,…

Quantum Physics · Physics 2017-03-01 Yangchao Shen , Xiang Zhang , Shuaining Zhang , Jing-Ning Zhang , Man-Hong Yung , Kihwan Kim

A general quantum many-body theory in configuration space is developed by extending the traditional coupled cluter method (CCM) to a variational formalism. Two independent sets of distribution functions are introduced to evaluate the…

Strongly Correlated Electrons · Physics 2009-11-07 Y. Xian

Simulating non-Hermitian dynamics on quantum computers is often hindered by the decay of success probability and the instability of non-diagonalizable matrices. Here, we present contour-based matrix decomposition (CBMD), a rigorous and…

Quantum Physics · Physics 2026-05-12 Chao Wang , Huan-Yu Liu , Cheng Xue , Xi-Ning Zhuang , Menghan Dou , Zhao-Yun Chen , Guo-Ping Guo

Real-time coupled cluster (CC) methods have several advantages over their frequency-domain counterparts, namely, response and equation of motion CC theories. Broadband spectra, strong fields, and pulse manipulation allow for the simulation…

Chemical Physics · Physics 2023-08-04 Benjamin G. Peyton , Zhe Wang , T. Daniel Crawford

We develop a theory based on quasi-geometric (QG) approach to transform a small number of qubits into a larger number of error-correcting qubits by considering four different cases. More precisely, we use the 2-dimensional quasi-orthogonal…

Quantum bits have technological imperfections. Additionally, the capacity of a component that can be implemented feasibly is limited. Therefore, distributed quantum computation is required to scale up quantum computers. This dissertation…

Quantum Physics · Physics 2017-04-11 Shota Nagayama