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Electron-molecule collisions play a central role in both natural processes and modern technological applications, particularly in plasma processing. Conventional computational strategies such as the R-matrix method have been widely adopted…

Quantum Physics · Physics 2026-05-13 Dario Picozzi , Jonathan Tennyson , Vincent Graves , Jimena D. Gorfinkiel

The variational quantum eigensolver (VQE) is an algorithm for finding the ground states of a given Hamiltonian. Its application to binary-formulated combinatorial optimization (CO) has been widely studied in recent years. However, typical…

Quantum Physics · Physics 2025-08-08 Ningyi Xie , Xinwei Lee , Tiejin Chen , Yoshiyuki Saito , Nobuyoshi Asai , Dongsheng Cai

The adaptive derivative-assembled pseudo-trotter variational quantum eigensolver (ADAPT-VQE) is a promising hybrid quantum-classical algorithm for molecular ground state energy calculation, yet its practical scalability is hampered by…

Quantum Physics · Physics 2026-02-05 Runhong He , Xin Hong , Qiaozhen Chai , Ji Guan , Junyuan Zhou , Arapat Ablimit , Guolong Cui , Shenggang Ying

One of the most promising applications of noisy intermediate-scale quantum computers is the simulation of molecular Hamiltonians using the variational quantum eigensolver. We show that encoding symmetries of the simulated Hamiltonian in the…

Quantum Chemistry (QC) is one of the most promising applications of Quantum Computing. However, present quantum processing units (QPUs) are still subject to large errors. Therefore, noisy intermediate-scale quantum (NISQ) hardware is…

Quantum Physics · Physics 2025-10-21 Mohammad Haidar , Marko J. Rančić , Thomas Ayral , Yvon Maday , Jean-Philip Piquemal

The variational quantum eigensolver (VQE) has emerged as one of the leading quantum algorithms for solving electronic structure problems on near-term noisy intermediate-scale quantum devices. However, its practical application to quantum…

Chemical Physics · Physics 2026-03-24 Yanxian Tao , Lingyun Wan , Jie Liu

In recent years, the Variational Quantum Eigensolver (VQE) has emerged as one of the most popular algorithms for solving the electronic structure problem on near-term quantum computers. The utility of VQE is often hindered by the…

Quantum Physics · Physics 2026-02-04 M. R. Nirmal , Ankit Khandelwal , Manoj Nambiar , Sharma S. R. K. C. Yamijala

Variational quantum eigensolver (VQE), aiming at determining the ground state energy of a quantum system described by a Hamiltonian on noisy intermediate scale quantum (NISQ) devices, is among the most significant applications of…

Quantum Physics · Physics 2024-04-12 Ze-Tong Li , Fan-Xu Meng , Han Zeng , Zai-Chen Zhang , Xu-Tao Yu

Observing rapid developments of both the number of qubits and quantum volume, especially with recent advances in ion-trap quantum computers, it is no doubt that Fault-Tolerant-Quantum-Computer (FTQC) will be realized in the near future.…

Quantum Physics · Physics 2023-05-18 Hikaru Wakaura , Andriyan Bayu Suksmono

We compare the performance of different methodologies for finding the ground state of the molecule BeH2. We implement adaptive, tetris-adaptive variational quantum eigensolver (VQE), and entanglement forging to reduce computational resource…

Quantum Physics · Physics 2024-07-24 Tushar Pandey , Jason Saroni , Abdullah Kazi , Kartik Sharma

We propose a variational quantum eigensolver (VQE) for the simulation of strongly-correlated quantum matter based on a multi-scale entanglement renormalization ansatz (MERA) and gradient-based optimization. This MERA quantum eigensolver can…

Quantum Physics · Physics 2023-09-04 Qiang Miao , Thomas Barthel

Variational quantum eigensolvers (VQE) are among the most promising approaches for solving electronic structure problems on near-term quantum computers. A critical challenge for VQE in practice is that one needs to strike a balance between…

Accurate quantum chemistry simulations remain challenging on classical computers for problems of industrially relevant sizes and there is reason for hope that quantum computing may help push the boundaries of what is technically feasible.…

Quantum Physics · Physics 2021-03-17 Vincent E. Elfving , Marta Millaruelo , José A. Gámez , Christian Gogolin

The Variational Quantum Eigensolver (VQE) is one the most perspective algorithms for simulation of quantum many body physics that have recently attached a lot of attention and believed would be practical for implementation on the near term…

Quantum Physics · Physics 2021-05-03 Belozerova Polina , Shangareev Arthur , Zotov Yuriy , Yung Manhong , lv Dingshun

We propose a hybrid variational quantum algorithm that has variational parameters used by both the quantum circuit and the subsequent classical optimization. Similar to the Variational Quantum Eigensolver (VQE), this algorithm applies a…

Quantum Physics · Physics 2025-12-05 John P. T. Stenger , C. Stephen Hellberg , Daniel Gunlycke

Variational quantum algorithms (VQAs) are a modern family of quantum algorithms designed to solve optimization problems using a quantum computer. Typically VQAs rely on a feedback loop between the quantum device and a classical optimization…

Quantum Physics · Physics 2022-08-26 Alexey Uvarov

Variational quantum eigensolver (VQE) optimizes parameterized eigenstates of a Hamiltonian on a quantum processor by updating parameters with a classical computer. Such a hybrid quantum-classical optimization serves as a practical way to…

Quantum Physics · Physics 2020-03-18 Dan-Bo Zhang , Tao Yin

Reflecting the increasing interest in quantum computing, the variational quantum eigensolver (VQE) has attracted much attentions as a possible application of near-term quantum computers. Although the VQE has often been applied to quantum…

Quantum Physics · Physics 2022-12-07 Yasutaka Nishida , Fumihiko Aiga

In this work we integrate the variational quantum eigensolver (VQE) with the adiabatic connection (AC) method for efficient simulations of chemical problems on near-term quantum computers. Orbital optimized VQE methods are employed to…

Quantum Physics · Physics 2023-10-10 Mikuláš Matoušek , Katarzyna Pernal , Fabijan Pavošević , Libor Veis

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
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