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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

Quantum computers are promising tools for simulating many-body quantum systems due to their potential scaling advantage over classical computers. While significant effort has been expended on many-fermion systems, here we simulate a model…

Quantum Physics · Physics 2023-07-17 Yuchen Wang , LeeAnn M. Sager-Smith , David A. Mazziotti

This thesis investigates sampling-based quantum algorithms for electronic ground state energy estimation, focusing on Quantum-Selected Configuration Interaction (QSCI) and Sample-Based Quantum Diagonalization (SQD) as near-term alternatives…

Quantum Physics · Physics 2025-09-29 Abdelmouheymen Rabah Khamadja , Mohamed Taha Rouabah

The variational quantum eigensolver (VQE) is a method that uses a hybrid quantum-classical computational approach to find eigenvalues and eigenvalues of a Hamiltonian. VQE has been proposed as an alternative to fully quantum algorithms such…

Quantum Physics · Physics 2021-09-01 Dmitry A. Fedorov , Bo Peng , Niranjan Govind , Yuri Alexeev

Adiabatic quantum computing enables the preparation of many-body ground states. This is key for applications in chemistry, materials science, and beyond. Realisation poses major experimental challenges: Direct analog implementation requires…

Variational quantum algorithms are among the most promising approaches for simulating interacting quantum many-body systems on noisy intermediate-scale quantum (NISQ) devices. However, the practical success of variational quantum…

Quantum Physics · Physics 2026-01-01 Rudraksh Sharma

Many quantum algorithms rely on a quality initial state for optimal performance. Preparing an initial state for specific applications can considerably reduce the cost of probabilistic algorithms such as the well studied quantum phase…

Quantum Physics · Physics 2024-12-10 Alexandre Fleury , James Brown , Erika Lloyd , Maritza Hernandez , Isaac H. Kim

The variational quantum eigensolver (VQE) is one of the most promising algorithms for low-lying eigenstates calculation on Noisy Intermediate-Scale Quantum (NISQ) computers. Specifically, VQE has achieved great success for ground state…

Numerical Analysis · Mathematics 2025-12-19 Hengzhun Chen , Yingzhou Li , Bichen Lu , Jianfeng Lu

Ab initio electronic excited state calculations are necessary for the quantitative study of photochemical reactions, but their accurate computation on classical computers is plagued by prohibitive scaling. The Variational Quantum Deflation…

Quantum states that are symmetric under particle exchange play a crucial role in fields such as quantum metrology and quantum error correction. We use a variational circuit composed of global one-axis twisting and global rotations to…

A new method is proposed for determining the ground state wave function of a quantum many-body system on a quantum computer, without requiring an initial trial wave function that has good overlap with the true ground state. The technique of…

Quantum Physics · Physics 2017-09-26 David B. Kaplan , Natalie Klco , Alessandro Roggero

Quantum computing is believed to be particularly useful for the simulation of chemistry and materials, among the various applications. In recent years, there have been significant advancements in the development of near-term quantum…

Quantum Physics · Physics 2022-10-12 Guoming Wang , Sukin Sim , Peter D. Johnson

Anharmonic potential quantum system play crucial role in physics as they provide a more realistic description of oscillatory phenomena, which often deviate from the idealized harmonic model. However, simulating such system on classical…

Quantum Physics · Physics 2025-10-08 Saurav Suman , Bikash K. Behera , Vivek Vyas , Prasanta k. Panigrahi

The analysis of a chemical reaction along the ground state potential energy surface in conjunction with an unknown spin state is challenging because electronic states must be separately computed several times using different spin…

Chemical Physics · Physics 2023-03-14 Soichi Shirai , Hokuto Iwakiri , Keita Kanno , Takahiro Horiba , Keita Omiya , Hirotoshi Hirai , Sho Koh

This work explores the application of the concurrent variational quantum eigensolver (cVQE) for computing excited states of the Schwinger model. By designing suitable ansatz circuits utilizing universal SO(4) or SO(8) qubit gates, we…

Quantum Physics · Physics 2024-07-23 Yibin Guo , Takis Angelides , Karl Jansen , Stefan Kühn

We propose a quantum-classical hybrid algorithm to simulate the non-equilibrium steady state of an open quantum many-body system, named the dissipative-system Variational Quantum Eigensolver (dVQE). To employ the variational optimization…

Quantum Physics · Physics 2020-12-07 Nobuyuki Yoshioka , Yuya O. Nakagawa , Kosuke Mitarai , Keisuke Fujii

The variational quantum imaginary time evolution (VarQITE) algorithm is a near-term method to prepare the ground state and Gibbs state of Hamiltonians. Finding an appropriate parameterization of the quantum circuit is crucial to the success…

Quantum Physics · Physics 2023-07-26 Xiaoyang Wang , Yahui Chai , Maria Demidik , Xu Feng , Karl Jansen , Cenk Tüysüz

The nuclear shell model is one of the prime many-body methods to study the structure of atomic nuclei, but it is hampered by an exponential scaling on the basis size as the number of particles increases. We present a shell-model quantum…

Quantum Physics · Physics 2023-09-18 A. Pérez-Obiol , A. M. Romero , J. Menéndez , A. Rios , A. García-Sáez , B. Juliá-Díaz

We propose an ansatz quantum circuit for the variational quantum eigensolver (VQE), suitable for exploring the phase structure of the multi-flavor Schwinger model in the presence of a chemical potential. Our ansatz is capable of…

High Energy Physics - Lattice · Physics 2024-06-17 Stephan Schuster , Stefan Kühn , Lena Funcke , Tobias Hartung , Marc-Oliver Pleinert , Joachim von Zanthier , Karl Jansen

Reducing circuit depth is essential for implementing quantum simulations of electronic structure on near-term quantum devices. In this work, we propose a variational quantum eigensolver (VQE) based perturbation theory algorithm to…

Quantum Physics · Physics 2024-01-17 Jie Liu , Zhenyu Li , Jinlong Yang