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Understanding complex chemical systems -- such as biomolecules, catalysts, and novel materials -- is a central goal of quantum simulations. Near-term strategies hinge on the use of variational quantum eigensolver (VQE) algorithms combined…

Quantum Physics · Physics 2023-08-02 Joshua Goings , Luning Zhao , Jacek Jakowski , Titus Morris , Raphael Pooser

Quantum Kernel Estimation (QKE) is a technique based on leveraging a quantum computer to estimate a kernel function that is classically difficult to calculate, which is then used by a classical computer for training a Support Vector Machine…

Quantum Physics · Physics 2023-08-01 Marco Russo , Edoardo Giusto , Bartolomeo Montrucchio

In response to the challenges in large-scale quantum state simulation on classical computing platforms, including memory limits, frequent disk I/O, and high computational complexity, this study builds upon a previously proposed hierarchical…

Emerging Technologies · Computer Science 2025-08-22 Mingyang Yu , Haorui Yang , Donglin Wang , Desheng Kong , Ji Du , Yulong Fu , Jing Xu

Quantum circuit simulation is a challenging computational problem crucial for quantum computing research and development. The predominant approaches in this area center on tensor networks, prized for their better concurrency and less…

Quantum network simulators offer the opportunity to cost-efficiently investigate potential avenues to building networks that scale with the number of users, communication distance, and application demands by simulating alternative hardware…

Quantum Physics · Physics 2024-08-13 Xiaoliang Wu , Alexander Kolar , Joaquin Chung , Dong Jin , Rajkumar Kettimuthu , Martin Suchara

Recently the use of neural networks has been introduced in the context of the signed particle formulation of quantum mechanics to rapidly and reliably compute the Wigner kernel of any provided potential. This new technique has introduced…

Computational Physics · Physics 2018-06-04 Jean Michel Sellier , Jacob Leygonie , Gaetan Marceau Caron

Quantum data encoding (QDE) enables faster com-putations than classical algorithms through superposition and en-tanglement. Circuit cutting and knitting are effective techniques for ameliorating current noisy quantum processing unit (QPUs)…

Quantum Physics · Physics 2025-11-19 Ziqing Guo , Jan Balewski , Kewen Xiao , Ziwen Pan

Quantum computing has emerged as a promising platform for simulating strongly correlated systems in chemistry, for which the standard quantum chemistry methods are either qualitatively inaccurate or too expensive. However, due to the…

Chemical Physics · Physics 2024-05-06 Max Rossmannek , Fabijan Pavošević , Angel Rubio , Ivano Tavernelli

The exploration of hybrid quantum-classical algorithms and programming models on noisy near-term quantum hardware has begun. As hybrid programs scale towards classical intractability, validation and benchmarking are critical to…

Quantum Physics · Physics 2019-03-06 Alexander McCaskey , Eugene Dumitrescu , Mengsu Chen , Dmitry Lyakh , Travis S. Humble

Existing graphical user interfaces for circuit simulators often show small visual summaries of the reduced state of each qubit, showing the probability, phase, purity, and/or Bloch sphere coordinates associated with each qubit. These…

Quantum Physics · Physics 2025-10-02 Michael J. McGuffin , Jean-Marc Robert

Simulating the dynamics of large quantum systems is a formidable yet vital pursuit for obtaining a deeper understanding of quantum mechanical phenomena. While quantum computers hold great promise for speeding up such simulations, their…

Quantum Physics · Physics 2024-03-27 Gian Gentinetta , Friederike Metz , Giuseppe Carleo

The area of quantum circuit simulation has attracted a lot of attention in recent years. However, due to the exponentially increasing computational costs, assessing and validating these models on large datasets poses significant obstacles.…

Quantum Physics · Physics 2025-05-14 Van Duy Tran , Tuan Hai Vu , Vu Trung Duong Le , Hoai Luan Pham , Yasuhiko Nakashima

Parallel processing of information plays a critical role in accelerating computation. This includes quantum computers, where parallel processing of quantum information will play a critical role in practical quantum advantage. Here, we…

The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for current and near-term quantum devices. Despite its initial success, there is a lack of understanding involving several of its key aspects. There…

Quantum Physics · Physics 2023-03-22 Manpreet Singh Jattana , Fengping Jin , Hans De Raedt , Kristel Michielsen

Simulation of quantum systems is challenging due to the exponential size of the state space. Tensor networks provide a systematically improvable approximation for quantum states. 2D tensor networks such as Projected Entangled Pair States…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-09-04 Yuchen Pang , Tianyi Hao , Annika Dugad , Yiqing Zhou , Edgar Solomonik

Quantum machine learning (QML) is a fast-growing discipline within quantum computing. One popular QML algorithm, quantum kernel estimation, uses quantum circuits to estimate a similarity measure (kernel) between two classical feature…

Quantum Physics · Physics 2023-07-12 Travis L. Scholten , Derrick Perry , Joseph Washington , Jennifer R. Glick , Thomas Ward

Recently a new formulation of quantum mechanics has been suggested which describes systems by means of ensembles of classical particles provided with a sign. This novel approach mainly consists of two steps: the computation of the Wigner…

Computational Engineering, Finance, and Science · Computer Science 2018-02-14 Jean Michel Sellier

We develop and analyze a method for simulating quantum circuits on classical computers by representing quantum states as rooted tree tensor networks. Our algorithm first determines a suitable, fixed tree structure adapted to the expected…

Quantum Physics · Physics 2023-04-05 Philipp Seitz , Ismael Medina , Esther Cruz , Qunsheng Huang , Christian B. Mendl

Classical simulations of quantum systems are notoriously difficult computational problems, with conventional state vector and tensor network methods restricted to quantum systems that feature only a small number of qudits. The recently…

Quantum Physics · Physics 2026-01-28 Ben Harper , Azar C. Nakhl , Thomas Quella , Martin Sevior , Muhammad Usman

Quantum operations on pure states can be fully represented by unitary matrices. Variational quantum circuits, also known as quantum neural networks, embed data and trainable parameters into gate-based operations and optimize the parameters…

Quantum Physics · Physics 2026-04-09 Basil Kyriacou , Mo Kordzanganeh , Maniraman Periyasamy , Alexey Melnikov