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The calculation time for the energy of atoms and molecules scales exponentially with system size on a classical computer but polynomially using quantum algorithms. We demonstrate that such algorithms can be applied to problems of chemical…

Quantum Physics · Physics 2007-05-23 Alán Aspuru-Guzik , Anthony D. Dutoi , Peter J. Love , Martin Head-Gordon

The Variational Quantum Eigensolver (VQE), as a hybrid quantum-classical algorithm, is an important tool for effective quantum computing in the current noisy intermediate-scale quantum (NISQ) era. However, the traditional hardware-efficient…

Strongly Correlated Electrons · Physics 2025-11-20 Shaohui Yao , Wenyu Wang

The current state of quantum computing is commonly described as the Noisy Intermediate-Scale Quantum era. Available computers contain a few dozens of qubits and can perform a few dozens of operations before the inevitable noise erases all…

Quantum Physics · Physics 2024-09-25 Ijaz Ahamed Mohammad , Matej Pivoluska , Martin Plesch

A balanced description of both static and dynamic correlations in electronic systems with nearly degenerate low-lying states presents a challenge for multi-configurational methods on classical computers. We present here a quantum algorithm…

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

We present a hybrid classical-quantum algorithm to solve optimization problems in current quantum computers, whose basic idea is to assist variational quantum eigensolvers (VQE) with adiabatic change of the Hamiltonian. The rational for…

Quantum Physics · Physics 2018-06-07 A. Garcia-Saez , J. I. Latorre

Methods of processing quantum data become more important as quantum computing devices improve their quality towards fault tolerant universal quantum computers. These methods include discrimination and filtering of quantum states given as an…

Quantum Physics · Physics 2020-02-18 D. V. Babukhin , A. A. Zhukov , W. V. Pogosov

The ability of near-term quantum computers to represent classically-intractable quantum states has brought much interest in using such devices for estimating the ground and excited state energies of fermionic Hamiltonians. The usefulness of…

Quantum Physics · Physics 2021-06-10 Maxwell D. Radin , Peter Johnson

The iterative quantum phase estimation algorithm, applied to calculating the ground state energies of quantum chemical systems, is theoretically appealing in its wide scope of being able to handle both weakly and strongly correlated…

Quantum Physics · Physics 2021-11-11 Dipanjali Halder , Srinivasa Prasannaa V. , Valay Agarawal , Rahul Maitra

Many researchers have been heavily investigated on quantum phase estimation (QPE) algorithms to find the unknown phase, since QPE is the core building block of the most quantum algorithms such as the Shor's factoring algorithm, quantum…

Quantum Physics · Physics 2019-03-19 Hamed Mohammadbagherpoor , Young-Hyun Oh , Anand Singh , Xianqing Yu , Andy J. Rindos

The thesis deals with Quantum Algorithms for solving Hard Constrained Optimization Problems. It shows how quantum computers can solve difficult everyday problems such as finding the best schedule for social workers or the path of a robot…

Quantum Physics · Physics 2022-03-01 Parfait Atchade-Adelomou

Combinatorial optimization is a promising application for near-term quantum computers, however, identifying performant algorithms suited to noisy quantum hardware remains as an important goal to potentially realizing quantum computational…

Quantum Physics · Physics 2025-04-01 Titus D. Morris , Ananth Kaushik , Martin Roetteler , Phillip C. Lotshaw

Computing the excited states of a given Hamiltonian is computationally hard for large systems, but methods that do so using quantum computers scale tractably. This problem is equivalent to the PCA problem where we are interested in…

Quantum Physics · Physics 2025-03-19 David Quiroga , Jason Han , Anastasios Kyrillidis

Variational quantum algorithms (VQAs) provide a promising approach to achieving quantum advantage for practical problems on near-term noisy intermediate-scale quantum (NISQ) devices. Thus far, most studies on VQAs have focused on…

Quantum Physics · Physics 2023-10-06 Yutaro Enomoto , Keitaro Anai , Kenta Udagawa , Shuntaro Takeda

Several quantum many-body models in one dimension possess exact solutions via the Bethe ansatz method, which has been highly successful for understanding their behavior. Nevertheless, there remain physical properties of such models for…

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

Estimating the eigenvalues of non-normal matrices is a foundational problem with far-reaching implications, from modeling non-Hermitian quantum systems to analyzing complex fluid dynamics. Yet, this task remains beyond the reach of standard…

Quantum Physics · Physics 2025-10-23 Yukun Zhang , Yusen Wu , Xiao Yuan

Optimizing the mRNA codon has an essential impact on gene expression for a specific target protein. It is an NP-hard problem; thus, exact solutions to such optimization problems become computationally intractable for realistic problem sizes…

Quantum Physics · Physics 2024-05-13 Hongfeng Zhang , Aritra Sarkar , Koen Bertels

The variational quantum eigensolver (VQE) is a promising algorithm to compute eigenstates and eigenenergies of a given quantum system that can be performed on a near-term quantum computer. Obtaining eigenstates and eigenenergies in a…

Quantum Physics · Physics 2021-03-10 Kohdai Kuroiwa , Yuya O. Nakagawa

Variational-Quantum-Eigensolver(VQE) method on a quantum computer is a well-known hybrid algorithm to solve the eigenstates and eigenvalues that uses both quantum and classical computers. This method has the potential to solve quantum…

Quantum Physics · Physics 2021-10-15 Hikaru Wakaura , Takao Tomono , Shoya Yasuda
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