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This thesis explores the application of the Symmetry-Breaking/Symmetry-Restoration methodology on quantum computers to better approximate a Hamiltonian's ground state energy within a variational framework in many-body physics. This involves…

Quantum Physics · Physics 2023-11-10 Andres Ruiz

Variational quantum eigensolver(VQE) typically minimizes energy with hybrid quantum-classical optimization, which aims to find the ground state. Here, we propose a VQE by minimizing energy variance, which is called as variance-VQE(VVQE).…

Quantum Physics · Physics 2020-06-30 Dan-Bo Zhang , Zhan-Hao Yuan , Tao Yin

The Variational Quantum Eigensolver (VQE) is a promising quantum algorithm for applications in chemistry within the Noisy Intermediate-Scale Quantum (NISQ) era. The ability for a quantum computer to simulate electronic structures with high…

Variational quantum eigensolvers (VQEs) are among the most promising quantum algorithms for solving electronic structure problems in quantum chemistry, particularly during the Noisy Intermediate-Scale Quantum (NISQ) era. In this study, we…

Quantum Physics · Physics 2026-05-07 Abel Carreras , David Casanova , Román Orús

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 problem of finding the ground state energy of a Hamiltonian using a quantum computer is currently solved using either the quantum phase estimation (QPE) or variational quantum eigensolver (VQE) algorithms. For precision $\epsilon$, QPE…

Quantum Physics · Physics 2019-04-16 Daochen Wang , Oscar Higgott , Stephen Brierley

Solving for molecular excited states remains one of the key challenges of modern quantum chemistry. Traditional methods are constrained by existing computational capabilities, limiting the complexity of the molecules that can be studied or…

Quantum Physics · Physics 2021-04-13 Jules Tilly , Glenn Jones , Hongxiang Chen , Leonard Wossnig , Edward Grant

Estimating the eigenvalue or energy gap of a Hamiltonian H is vital for studying quantum many-body systems. Particularly, many of the problems in quantum chemistry, condensed matter physics, and nuclear physics investigate the energy gap…

Quantum Physics · Physics 2023-05-22 Yongdan Yang , Ying Li , Xiaosi Xu , Xiao Yuan

Quantum algorithms are promising candidates for the enhancement of computational efficiency for a variety of computational tasks, allowing for the numerical study of physical systems intractable to classical computers. In the Noisy…

Quantum Physics · Physics 2021-05-13 Marco Majland , Nikolaj Thomas Zinner

Simulating the Hubbard model is of great interest to a wide range of applications within condensed matter physics, however its solution on classical computers remains challenging in dimensions larger than one. The relative simplicity of…

Quantum Physics · Physics 2025-05-21 Antonios M. Alvertis , Abid Khan , Thomas Iadecola , Peter P. Orth , Norm Tubman

As a hybrid quantum-classical algorithm, the variational quantum eigensolver is widely applied in quantum chemistry simulations, especially in computing the electronic structure of complex molecular systems. However, on existing noisy…

Quantum Physics · Physics 2025-01-28 Wanqi Sun , Jungang Xu , Chenghua Duan

Variational quantum algorithms provide feasible approaches for simulating quantum systems and are applied widely. For lattice gauge theory, however, variational quantum simulation faces a challenge as local gauge invariance enforces a…

Quantum Physics · Physics 2024-09-02 Lang-Xing Cheng , Dan-Bo Zhang

Classical simulation of real-space quantum dynamics is challenging due to the exponential scaling of computational cost with system dimensions. Quantum computer offers the potential to simulate quantum dynamics with polynomial complexity;…

Quantum Physics · Physics 2021-10-13 Chee-Kong Lee , Chang-Yu Hsieh , Shengyu Zhang , Liang Shi

Hybrid quantum-classical embedding methods for correlated materials simulations provide a path towards potential quantum advantage. However, the required quantum resources arising from the multi-band nature of $d$ and $f$ electron materials…

Quantum Physics · Physics 2023-01-09 Anirban Mukherjee , Noah F. Berthusen , João C. Getelina , Peter P. Orth , Yong-Xin Yao

We present a quantum algorithm for simulation of quantum field theory in the light-front formulation and demonstrate how existing quantum devices can be used to study the structure of bound states in relativistic nuclear physics.…

Quantum chemistry calculations such as the prediction of molecular properties and modeling of chemical reactions are a few of the critical areas where near-term quantum computers can showcase quantum advantage. We present a method to…

Quantum Physics · Physics 2022-04-06 Utkarsh Azad , Harjinder Singh

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

For the variational quantum eigensolver we propose to generate trial wavefunctions from a small amount of selected Pauli terms of the problem Hamiltonian. Two different approaches, one inspired by the quantum approximate optimization…

Quantum Physics · Physics 2019-08-27 Gian Salis , Nikolaj Moll

Finding the ground-state energy of molecules is an important and challenging computational problem for which quantum computing can potentially find efficient solutions. The variational quantum eigensolver (VQE) is a quantum algorithm that…

Quantum Physics · Physics 2023-02-15 Daniel Yoffe , Amir Natan , Adi Makmal

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
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