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We propose the simulation of quantum-optical systems in the ultrastrong-coupling regime using a variational quantum algorithm. More precisely, we introduce a short-depth variational form to prepare the groundstate of the multimode Dicke…

Quantum Physics · Physics 2020-09-09 Agustin Di Paolo , Panagiotis Kl. Barkoutsos , Ivano Tavernelli , Alexandre Blais

The variational quantum eigensolver (VQE) is one of the most promising algorithms to find eigenvalues and eigenvectors of a given Hamiltonian on noisy intermediate-scale quantum (NISQ) devices. A particular application is to obtain ground…

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

Accurate prediction of cancer type and primary tumor site is critical for effective diagnosis, personalized treatment, and improved outcomes. Traditional models struggle with the complexity of genomic and clinical data, but quantum…

Quantitative Methods · Quantitative Biology 2025-06-30 Don Roosan , Rubayat Khan , Md Rahatul Ashakin , Tiffany Khou , Saif Nirzhor , Mohammad Rifat Haider

Quantum computing opens up new possibilities for the simulation of many-body nuclear systems. As the number of particles in a many-body system increases, the size of the space if the associated Hamiltonian increases exponentially. This…

Quantum Physics · Physics 2022-09-19 Isaac Hobday , Paul Stevenson , James Benstead

We report the first electronic structure calculation performed on a quantum computer without exponentially costly precompilation. We use a programmable array of superconducting qubits to compute the energy surface of molecular hydrogen…

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

Hybrid quantum-classical approaches offer potential solutions to quantum chemistry problems, yet they often manifest as constrained optimization problems. Here, we explore the interconnection between constrained optimization and generalized…

Quantum Physics · Physics 2025-03-27 Muqing Zheng , Bo Peng , Ang Li , Xiu Yang , Karol Kowalski

Classical simulation of molecular systems is limited by exponential scaling, a hurdle quantum algorithms like Variational Quantum Eigensolvers (VQEs) aim to overcome. Although ADAPT-VQE enhances VQEs by dynamically building ans\"atze, it…

Quantum Physics · Physics 2025-06-23 Tatiana A. Bespalova , Oumaya Ladhari , Guido Masella

Quantum chemistry calculations for small molecules on quantum hardware have been demonstrated to date only on universal-gate quantum computers, not quantum annealers. The latter devices are limited to finding the lowest eigenstate of the…

Chemical Physics · Physics 2019-01-16 Scott N. Genin , Ilya G. Ryabinkin , Artur F. Izmaylov

Simulating quantum circuits using classical computers can accelerate the development and validation of quantum algorithms. Our newly developed algorithm, variational quantum search (VQS), has shown an exponential advantage over Grover's…

Quantum Physics · Physics 2023-09-13 Mohammadreza Soltaninia , Junpeng Zhan

Calculating the energy spectrum of a quantum system is an important task, for example to analyse reaction rates in drug discovery and catalysis. There has been significant progress in developing algorithms to calculate the ground state…

Quantum Physics · Physics 2019-06-12 Suguru Endo , Tyson Jones , Sam McArdle , Xiao Yuan , Simon Benjamin

A new basis adaptive algorithm for hybrid quantum-classical platforms is introduced to efficiently find the ground-state (gs) properties of quantum many-body systems. The method addresses limitations of many algorithms, such as Variational…

Strongly Correlated Electrons · Physics 2025-12-16 Anutosh Biswas , Sayan Ghosh , Ritajit Majumdar , Mostafizur Rahaman , Manoranjan Kumar

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

Quantum computing has gained a lot of attention recently, and scientists have seen potential applications in this field using quantum computing for Cryptography and Communication to Machine Learning and Healthcare. Protein folding has been…

Quantum Physics · Physics 2022-11-16 Hasan Mustafa , Sai Nandan Morapakula , Prateek Jain , Srinjoy Ganguly

The variational approach is a cornerstone of computational physics, considering both conventional and quantum computing computational platforms. The variational quantum eigensolver (VQE) algorithm aims to prepare the ground state of a…

Quantum Physics · Physics 2022-12-16 Nikita Astrakhantsev , Guglielmo Mazzola , Ivano Tavernelli , Giuseppe Carleo

Implementing variational quantum algorithms with noisy intermediate-scale quantum machines of up to a hundred qubits is nowadays considered as one of the most promising routes towards achieving a quantum practical advantage. In multiqubit…

Quantum Physics · Physics 2021-08-18 Andrey Kardashin , Anastasiia Pervishko , Jacob Biamonte , Dmitry Yudin

We explore a non-variational quantum state preparation approach combined with the ADAPT operator selection strategy in the application of preparing the ground state of a desired target Hamiltonian. In this algorithm, energy gradient…

Adaptive quantum design identifies the best broken-symmetry configurations of atoms and molecules that enable a desired target function response. In this work, numerical optimization is used to design atomic clusters with specified…

Strongly Correlated Electrons · Physics 2009-11-10 Jason Thalken , Yu Chen , A. F. J. Levi , Stephan Haas

Nuclear quantum effects such as zero-point energy and hydrogen tunnelling play a central role in many biological and chemical processes. The nuclear-electronic orbital (NEO) approach captures these effects by treating selected nuclei…