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With the aim of establishing a framework to efficiently perform the practical application of quantum chemistry simulation on near-term quantum devices, we envision a hybrid quantum--classical framework for leveraging problem decomposition…

Quantum computational fluid dynamics (QCFD) offers a promising alternative to classical computational fluid dynamics (CFD) by leveraging quantum algorithms for higher efficiency. This paper introduces a comprehensive QCFD method, including…

In quantum embedding theories, a quantum many-body system is divided into localized clusters of sites which are treated with an accurate `high-level' theory and glued together self-consistently by a less accurate `low-level' theory at the…

Optimization and Control · Mathematics 2021-06-08 Yuehaw Khoo , Michael Lindsey

Extracting the Hamiltonian of interacting quantum-information processing systems is a keystone problem in the realization of complex phenomena and large-scale quantum computers. The remarkable growth of the field increasingly requires…

We propose a model for data classification using isolated quantum $d$-level systems or else qudits. The procedure consists of an encoding phase where classical data are mapped on the surface of the qudit's Bloch hyper-sphere via rotation…

Quantum Physics · Physics 2023-07-27 A. Mandilara , B. Dellen , U. Jaekel , T. Valtinos , D. Syvridis

Gradient-based optimizers have been proposed for training variational quantum circuits in settings such as quantum neural networks (QNNs). The task of gradient estimation, however, has proven to be challenging, primarily due to distinctive…

We propose a framework to solve non-linear and history-dependent mechanical problems based on a hybrid classical computer -- quantum annealer approach. Quantum Computers are anticipated to solve particular operations exponentially faster.…

Computational Engineering, Finance, and Science · Computer Science 2024-02-20 Van-Dung Nguyen , Ling Wu , Françoise Remacle , Ludovic Noels

Embedding high-dimensional data into resource-limited quantum devices remains a significant challenge for practical quantum machine learning. In multimodal face anti-spoofing, while linear compression methods such as principal component…

Quantum Physics · Physics 2026-03-31 Wanqi Sun , Jungang Xu , Chenghua Duan

Simulating quantum systems is one of the most promising tasks where quantum computing can potentially outperform classical computing. However, the robustness needed for reliable simulations of medium to large systems is beyond the reach of…

Quantum Physics · Physics 2024-06-14 Noah Berthusen , Faisal Alam , Yu Zhang

We present a large-scale experimental study of quantum-computing-based molecular simulation carried out on IQM's Sirius 24-qubit superconducting processor, utilizing up to 16 operational qubits. The work employs Sample-based Quantum…

In this short note, we present a rigorous derivation of the one-body double-hybrid density functional (OBDHF) theory, a self-consistent double-hybrid density functional framework that unifies the generalized Kohn-Sham (GKS) formalism with…

Chemical Physics · Physics 2026-03-17 Lan Nguyen Tran

Accurately predicting turbulent flows remains a central challenge in fluid dynamics due to their high dimensionality and intrinsic nonlinearity. Recent developments in quantum algorithms and machine learning offer new opportunities for…

Fluid Dynamics · Physics 2025-11-25 Han Li , Yutong Lou , Dunhui Xiao

We present a phase-space method for the Bose-Hubbard model based on the Q-function representation. In particular, we consider two model Hamiltonians in the mean-field approximation; the first is the standard "one site" model where quantum…

Soft Condensed Matter · Physics 2007-05-23 P. Jain , C. W. Gardiner

Using canonical quantisation, and eschewing the Schwinger-Keldysh path integral, we derive a version of the Worldline Quantum Field Theory (WQFT) formalism suitable for both scattering and bound configurations of the classical two-body…

High Energy Physics - Theory · Physics 2026-03-06 Riccardo Gonzo , Gustav Mogull

Alternative computing paradigms open the door to exploiting recent innovations in computational hardware to probe the fundamental thermodynamic limits of information processing. One such paradigm employs superconducting quantum interference…

Statistical Mechanics · Physics 2024-07-03 Christian Z. Pratt , Kyle J. Ray , James P. Crutchfield

Quantum Annealing (QA) and QAOA are promising quantum optimisation algorithms used for finding approximate solutions to combinatorial problems on near-term NISQ systems. Many NP-hard problems can be reformulated as Quadratic Unconstrained…

Quantum Physics · Physics 2025-10-06 Namasi G Sankar , Georgios Miliotis , Simon Caton

Decoherence of quantum hardware is currently limiting its practical applications. At the same time, classical algorithms for simulating quantum circuits have progressed substantially. Here, we demonstrate a hybrid framework that integrates…

We present a novel, computationally efficient approach to accelerate quantum optimal control calculations of large multi-qubit systems used in a variety of quantum computing applications. By leveraging the intrinsic symmetry of finite…

Quantum Physics · Physics 2023-10-05 Xian Wang , Mahmut Sait Okyay , Anshuman Kumar , Bryan M. Wong

This paper presents a quantum-enhanced optimization approach for solving optimal power flow (OPF) by integrating the interior point method (IPM) with a coherent variational quantum linear solver (CVQLS). The objective is to explore the…

Quantum Physics · Physics 2025-08-29 Farshad Amani , Amin Kargarian

We discuss the partitioning of a quantum system by subsystem separation through unitary block-diagonalization (SSUB) applied to a Fock operator. Our separation can be formulated in a very general way. It can be applied to very different…

Chemical Physics · Physics 2019-05-24 Adrian H. Mühlbach , Markus Reiher
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