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Quantum computing has emerged as a promising technology for solving problems that are intractable for classical computers. In this study, we introduce quantum computing and implement the Variational Quantum Eigensolver (VQE) algorithm using…

Quantum Physics · Physics 2023-05-12 Maomin Qing , Wei Xie

This paper explores the utility of the quantum phase estimation (QPE) in calculating high-energy excited states characterized by promotions of electrons occupying inner energy shells. These states have been intensively studied over the last…

In this paper we discuss the utilization of Variational Quantum Solver (VQE) and recently introduced Generalized Unitary Coupled Cluster (GUCC) formalism for the diagonalization of downfolded/effective Hamiltonians in active spaces. In…

Quantum Physics · Physics 2020-11-05 Nicholas P. Bauman , Jaroslav Chládek , Libor Veis , Jiří Pittner , Karol Kowalski

Variational Quantum Eigensolver (VQE) method is the way to derive the wave functions from their eigen energies using quantum computers. But, the methods to utilize the superposition states between them haven't been developed yet. The method…

Quantum Physics · Physics 2021-07-13 Hikaru Wakaura , Takao Tomono

Quantum chemistry and materials is one of the most promising applications of quantum computing. Yet much work is still to be done in matching industry-relevant problems in these areas with quantum algorithms that can solve them. Most…

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…

We extend Quantum Computing Quantum Monte Carlo (QCQMC) beyond ground-state energy estimation by systematically constructing the quantum circuits used for state preparation. Replacing the original Variational Quantum Eigensolver (VQE)…

Simulating quantum dynamics is expected to be performed more easily on a quantum computer than on a classical computer. However, the currently available quantum devices lack the capability to implement fault-tolerant quantum algorithms for…

Quantum Physics · Physics 2022-02-28 Kian Hwee Lim , Tobias Haug , Leong Chuan Kwek , Kishor Bharti

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

Beyond ground state energy estimation, quantum phase estimation (QPE) applied to many-electron systems has the potential to output an approximation of the ground state, enabling in a second step an evaluation of observables other than the…

Quantum Physics · Physics 2026-04-28 Jérémie Messud , Wassil Sennane

In this report, we propose a novel quantum diagonalization algorithm based on the optimization of variational quantum circuits. Diagonalizing a quantum state is a fundamental yet computationally challenging task in quantum information…

Quantum Physics · Physics 2025-05-23 Juan Yao

Quantum chemical calculations have attracted much attention as a practical application of quantum computing. Quantum computers can prepare superpositions of electronic states with various numbers of electrons on qubits. This special feature…

Chemical Physics · Physics 2024-03-29 Soichi Shirai , Takahiro Horiba , Hirotoshi Hirai

Quantum computing presents a promising path toward precise quantum chemical simulations, particularly for systems that challenge classical methods. This work investigates the performance of the Variational Quantum Eigensolver (VQE) in…

Quantum Physics · Physics 2025-10-28 Zakaria Boutakka , Nouhaila Innan , Muhammed Shafique , Mohamed Bennai , Z. Sakhi

Variational quantum eigensolver (VQE) is an appealing candidate for the application of near-term quantum computers. A technique introduced in [Higgot et al., Quantum 3, 156 (2019)], which is named variational quantum deflation (VQD), has…

We compare the performance of different methodologies for finding the ground state of the molecule BeH2. We implement adaptive, tetris-adaptive variational quantum eigensolver (VQE), and entanglement forging to reduce computational resource…

Quantum Physics · Physics 2024-07-24 Tushar Pandey , Jason Saroni , Abdullah Kazi , Kartik Sharma

Quantum phase estimation (QPE) is one of the most important subroutines in quantum computing. In general applications, current QPE algorithms either suffer an exponential time overload or require a set of - notoriously quite fragile - GHZ…

Quantum Physics · Physics 2021-10-04 Luca Pezzè , Augusto Smerzi

Quantum computers have an exponential speed-up advantage over classical computers. One of the most prominent utilities of quantum computers is their ability to study complex quantum systems in various fields using quantum computational…

Quantum Physics · Physics 2022-01-03 Ritu Dhaulakhandi , Bikash K. Behera

Recent advances in analog and digital quantum-simulation platforms have enabled exploration of the spectrum of entanglement Hamiltonians via variational algorithms. In this work we analyze the convergence properties of the variationally…

Quantum Physics · Physics 2025-05-16 Yanick S. Kind , Benedikt Fauseweh

Variational hybrid quantum-classical algorithms are some of the most promising workloads for near-term quantum computers without error correction. The aim of these variational algorithms is to guide the quantum system to a target state that…

Quantum Physics · Physics 2021-03-18 Shavindra P. Premaratne , A. Y. Matsuura

Quantum phase estimation combined with Hamiltonian simulation is the most promising algorithmic framework to computing ground state energies on quantum computers. Its main computational overhead derives from the Hamiltonian simulation…

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