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Given the inherent limitations of traditional Variational Quantum Eigensolver(VQE) algorithms, the integration of deep generative models into hybrid quantum-classical frameworks, specifically the Generative Quantum Eigensolver(GQE),…

Chemical Physics · Physics 2025-09-25 Zhi Yin , Xiaoran Li , Shengyu Zhang , Xin Li , Xiaojin Zhang

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

Recent advances in quantum computing and machine learning have given rise to quantum machine learning (QML), with growing interest in learning from sequential data. Quantum recurrent models like QLSTM are promising for time-series…

Machine Learning · Computer Science 2025-08-22 Samuel Yen-Chi Chen , Prayag Tiwari

Reservoir computing leverages rich, non-linear dynamics to process temporal data. Quantum variants promise enhanced expressivity from high-dimensional Hilbert spaces, yet their practical applicability is hindered by hardware noise and…

Accurate and scalable methods for computational quantum chemistry can accelerate research and development in many fields, ranging from drug discovery to advanced material design. Solving the electronic Schrodinger equation is the core…

In the lead up to fault tolerance, the utility of quantum computing will be determined by how adequately the effects of noise can be circumvented in quantum algorithms. Hybrid quantum-classical algorithms such as the variational quantum…

In this paper, we explore the potential of quantum computing in enhancing malware detection through the application of Quantum Machine Learning (QML). Our main objective is to investigate the performance of the Quantum Support Vector…

Quantum Physics · Physics 2025-10-09 Eliška Krátká , Aurél Gábor Gábris

We introduce the Qumode Subspace Variational Quantum Eigensolver (QSS-VQE), a hybrid quantum-classical algorithm for computing molecular excited states using the Fock basis of bosonic qumodes in circuit quantum electrodynamics (cQED)…

Quantum Computing (QC) offers outstanding potential for molecular characterization and drug discovery, particularly in solving complex properties like the Ground State Energy (GSE) of biomolecules. However, QC faces challenges due to…

Chemical Physics · Physics 2024-12-17 Laia Coronas Sala , Parfait Atchade-Adelemou

Quantum Machine Learning (QML) is a recent and rapidly evolving field where the theoretical framework and logic of quantum mechanics are employed to solve machine learning tasks. Various techniques with different levels of quantum-classical…

Quantum Physics · Physics 2023-04-17 Alessandro Giovagnoli , Yunpu Ma , Volker Tresp

The Variational Quantum Eigensolver (VQE) is a Variational Quantum Algorithm (VQA) to determine the ground state of quantum-mechanical systems. As a VQA, it makes use of a classical computer to optimize parameter values for its quantum…

Quantum Physics · Physics 2025-11-13 Felix Truger , Johanna Barzen , Frank Leymann , Julian Obst

The variational quantum eigensolver (VQE) is a promising algorithm for demonstrating quantum advantage in the noisy intermediate-scale quantum (NISQ) era. However, optimizing VQE from random initial starting parameters is challenging due to…

Quantum Physics · Physics 2023-10-20 Abid Khan , Bryan K. Clark , Norm M. Tubman

Hybrid quantum-classical algorithms have been proposed as a potentially viable application of quantum computers. A particular example - the variational quantum eigensolver, or VQE - is designed to determine a global minimum in an energy…

Quantum Physics · Physics 2020-08-05 Alexey Uvarov , Jacob Biamonte , Dmitry Yudin

The Adaptive Derivative-Assembled Pseudo-Trotter Variational Quantum Eigensolver (ADAPT-VQE) has emerged as a pivotal promising approach for electronic structure challenges in quantum chemistry with noisy quantum devices. Nevertheless, to…

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

We perform a series of calculations using simulated QPUs, accelerated by the NVIDIA CUDA-Q platform, focusing on a molecular analog of an amine-functionalized metal-organic framework (MOF), a promising class of materials for CO$_2$ capture.…

Chemical Physics · Physics 2025-12-16 Jonathan R. Owens , Marwa H. Farag , Pooja Rao , Annarita Giani

Non-Hermitian operators naturally arise in the description of open quantum systems, which exhibit features such as resonances and decay processes, where the associated eigenvalues are complex. Standard quantum algorithms, including the…

Quantum Physics · Physics 2026-04-01 Durgesh Pandey , Ankit Kumar Das , P. Arumugam

Quasiparticle band structures are fundamental for understanding strongly correlated electron systems. While solving these structures accurately on classical computers is challenging, quantum computing offers a promising alternative.…

Quantum Physics · Physics 2025-11-10 Takahiro Ohgoe , Hokuto Iwakiri , Kazuhide Ichikawa , Sho Koh , Masaya Kohda

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

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
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