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Quantum chemistry is envisioned as an early and disruptive application for quantum computers. Yet, closer scrutiny of the proposed algorithms shows that there are considerable difficulties along the way. Here, we propose two criteria for…

Quantum Physics · Physics 2026-04-09 Thibaud Louvet , Thomas Ayral , Xavier Waintal

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

We present a quantum information-inspired ansatz for the variational quantum eigensolver (VQE) and demonstrate its efficacy in calculating ground-state energies of atomic systems. Instead of adopting a heuristic approach, we start with an…

Quantum Physics · Physics 2025-08-19 Abdul Kalam , Prasenjit Deb , Akitada Sakurai , B. K. Sahoo , V. S. Prasannaa , B. P. Das

Establishing the nature of the ground state of the Heisenberg antiferromagnet (HAFM) on the kagome lattice is well known to be a prohibitively difficult problem for classical computers. Here, we give a detailed proposal for a Variational…

Quantum Physics · Physics 2022-12-26 Joris Kattemölle , Jasper van Wezel

Quantum computing brings a promise of new approaches into computational quantum chemistry. While universal, fault-tolerant quantum computers are still not available, we want to utilize today's noisy quantum processors. One of their flagship…

We present a novel method for improving the quantum simulation of the ground state energy of molecules. We perform a pre-processing step classically, which reduces the dimensionality of the problem by generating a custom mapping which…

Quantum Physics · Physics 2023-03-03 Kaur Kristjuhan , Mark Nicholas Jones

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

Current quantum computers are limited in the number of qubits and coherence time, constraining the algorithms executable with sufficient fidelity. The variational quantum eigensolver (VQE) is an algorithm to find an approximate ground state…

Quantum Physics · Physics 2023-01-24 Luca Erhart , Kosuke Mitarai , Wataru Mizukami , Keisuke Fujii

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…

Molecular quantum-dot Cellular Automata (QCA) may provide low-power, high-speed computational hardware for processing classical information. Simulation and modeling play an important role in the design of QCA circuits because fully-coherent…

Quantum Physics · Physics 2025-10-15 Nischal Binod Gautam , Enrique P. Blair

The Variational Quantum Eigensolver (VQE) is a promising hybrid algorithm, utilizing both quantum and classical computers to obtain the ground state energy of molecules. In this context, this study applies VQE to investigate the ground…

Accurate determination of ground-state energies for molecules remains a challenge in quantum chemistry and a cornerstone for progress in fields such as drug discovery and materials design. The Variational Quantum Eigensolver (VQE)…

The Variational Quantum Eigensolver (VQE) algorithm has been developed to target near term Noisy Intermediate Scale Quantum (NISQ) computers as a method to find the eigenvalues of Hamiltonians. Unlike fully quantum algorithms such as…

Quantum Physics · Physics 2026-02-13 Taylor Harville , Rishu Khurana , Vitor F. Grizzi , Cong Liu

The inherent noise in current Noisy Intermediate-Scale Quantum (NISQ) devices presents a major obstacle to the accurate implementation of quantum algorithms such as the Variational Quantum Eigensolver (VQE) for quantum chemistry…

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…

In the emergent realm of quantum computing, the Variational Quantum Eigensolver (VQE) stands out as a promising algorithm for solving complex quantum problems, especially in the noisy intermediate-scale quantum (NISQ) era. However, the…

Quantum Physics · Physics 2024-03-13 Subhasree Bhattacharjee , Soumyadip Sarkar , Kunal Das , Bikramjit Sarkar

In this manuscript, we calculate the ground state energy of benzene under spatial deformations by using the variational quantum eigensolver (VQE). The primary goal of the study is estimating the feasibility of using quantum computing…

Quantum Physics · Physics 2023-01-25 Wassil Sennane , Jean-Philip Piquemal , Marko J. Rančić

Quantum systems have historically been formidable to simulate using classical computational methods, particularly as the system size grows. In recent years, advancements in quantum computing technology have offered new opportunities for…

Quantum Physics · Physics 2023-09-06 Jinao Wang , Rimika Jaiswal

Variational Quantum Eigensolvers (VQEs) are a powerful class of hybrid quantum-classical algorithms designed to approximate the ground state of a quantum system described by its Hamiltonian. VQEs hold promise for various applications,…

Quantum Physics · Physics 2025-02-04 Kim A. Nicoli , Luca J. Wagner , Lena Funcke

Feynmans ideas to employ quantum systems for simulating other quantum systems gave rise to quantum simulation. While current quantum computers are still prone to decoherence and rely on error correction, the development of hybrid algorithms…

Quantum Physics · Physics 2022-01-13 Alan Anaya , Francisco Delgado