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In this paper, we investigate the use of variational quantum algorithms for simulating the thermodynamic properties of dinuclear metal complexes. Our study highlights the potential of quantum computing to transform advanced simulations and…

Quantum Physics · Physics 2024-10-28 Ana Clara das Neves Silva , Clebson Cruz

This work develops simulation methods that enable the application of the variational quantum linear solver (VQLS) to simulate quantum transport in nanoscale semiconductor devices. Most previous work on VQLS applications in semiconductor…

Quantum Physics · Physics 2025-09-10 Qimao Yang , Jing Guo

Quantum computing is among the most promising emerging techniques to solve problems that are computationally intractable on classical hardware. A large body of existing works focus on using variational quantum algorithms on the gate level…

Determining the vibrational structure of a molecule is central to fundamental applications in several areas, from atmospheric science to catalysis, fuel combustion modeling, biochemical imaging, and astrochemistry. However, when significant…

Quantum Physics · Physics 2021-12-22 Nicolas P. D. Sawaya , Francesco Paesani , Daniel P. Tabor

Current quantum simulators suffer from multiple limitations such as short coherence time, noisy operations, faulty readout and restricted qubit connectivity in some platforms. Variational quantum algorithms are the most promising approach…

Quantum Physics · Physics 2023-05-31 Chufan Lyu , Xiaoyu Tang , Junning Li , Xusheng Xu , Man-Hong Yung , Abolfazl Bayat

Simulations of quantum dynamics are a key application of near term quantum computing, but are hindered by the twin challenges of noise and small device scale, which limit the executable circuit depths and the number of qubits the algorithm…

Quantum Physics · Physics 2025-02-07 Vladyslav Bohun , Maxence Grandadam , Maciej Koch-Janusz

Variational Quantum Circuits (VQC) lie at the forefront of quantum machine learning research. Still, the use of quantum networks for real data processing remains challenging as the number of available qubits cannot accommodate a large…

Quantum Physics · Physics 2024-09-06 G. Maragkopoulos , A. Mandilara , A. Tsili , D. Syvridis

Quantum computing (QC) provides a promising avenue toward enabling quantum chemistry calculations, which are classically impossible due to a computational complexity that increases exponentially with system size. As fully fault-tolerant…

Quantum computing technology has the potential to revolutionize the simulation of materials and molecules in the near future. A primary challenge in achieving near-term quantum advantage is effectively mitigating the noise effects inherent…

Quantum Physics · Physics 2024-01-17 Tao Jiang , John Rogers , Marius S. Frank , Ove Christiansen , Yong-Xin Yao , Nicola Lanatà

Variational Quantum Circuits (VQCs), or the so-called quantum neural-networks, are predicted to be one of the most important near-term quantum applications, not only because of their similar promises as classical neural-networks, but also…

Programming Languages · Computer Science 2020-04-03 Shaopeng Zhu , Shih-Han Hung , Shouvanik Chakrabarti , Xiaodi Wu

Variational quantum compiling (VQC) algorithms aim to approximate deep quantum circuits with shallow parameterized ansatzes, making them more suitable for NISQ hardware. In this article a variant of VQC named the recursive variational…

Quantum Physics · Physics 2025-03-12 Stian Bilek , Kristian Wold

Molecular vibrations underpin important phenomena such as spectral properties, energy transfer, and molecular bonding. However, obtaining a detailed understanding of the vibrational structure of even small molecules is computationally…

Quantum Physics · Physics 2020-01-24 Sam McArdle , Alex Mayorov , Xiao Shan , Simon Benjamin , Xiao Yuan

While most work on the quantum simulation of chemistry has focused on computing energy surfaces, a similarly important application requiring subtly different algorithms is the computation of energy derivatives. Almost all molecular…

Hybrid variational quantum algorithms are promising for solving practical problems, such as combinatorial optimization, quantum chemistry simulation, quantum machine learning, and quantum error correction on noisy quantum computers.…

Quantum state tomography is a key process in most quantum experiments. In this work, we employ quantum machine learning for state tomography. Given an unknown quantum state, it can be learned by maximizing the fidelity between the output of…

Due to the unreliability and limited capacity of existing quantum computer prototypes, quantum circuit simulation continues to be a vital tool for validating next generation quantum computers and for studying variational quantum algorithms,…

Quantum Physics · Physics 2021-04-01 Yipeng Huang , Steven Holtzen , Todd Millstein , Guy Van den Broeck , Margaret Martonosi

Quantum algorithms have been developed for efficiently solving linear algebra tasks. However, they generally require deep circuits and hence universal fault-tolerant quantum computers. In this work, we propose variational algorithms for…

Quantum Physics · Physics 2021-12-28 Xiaosi Xu , Jinzhao Sun , Suguru Endo , Ying Li , Simon C. Benjamin , Xiao Yuan

This paper presents a Quantum Reinforcement Learning (QRL) solution to the dynamic portfolio optimization problem based on Variational Quantum Circuits. The implemented QRL approaches are quantum analogues of the classical…

Machine Learning · Computer Science 2026-01-29 Vincent Gurgul , Ying Chen , Stefan Lessmann

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

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…