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Quantum simulation of strongly correlated systems is potentially the most feasible useful application of near-term quantum computers. Minimizing quantum computational resources is crucial to achieving this goal. A promising class of…

量子物理 · 物理学 2023-06-14 V. O. Shkolnikov , Nicholas J. Mayhall , Sophia E. Economou , Edwin Barnes

Symmetry-adapted variational quantum eigensolvers (VQE) based on the Unitary Coupled-Cluster ansatz (SymUCCSD) effectively reduce the parameter count for Abelian molecular point groups. For non-Abelian groups, they systematically fail,…

量子物理 · 物理学 2026-05-21 Leon D. da Silva , Marcelo P. Santos

The Variational Quantum Eigensolver (VQE) is a promising algorithm for quantum computing applications in chemistry and materials science, particularly in addressing the limitations of classical methods for complex systems. This study…

量子物理 · 物理学 2025-02-25 Nia Pollard , Kamal Choudhary

Classical simulation of molecular systems is limited by exponential scaling, a hurdle quantum algorithms like Variational Quantum Eigensolvers (VQEs) aim to overcome. Although ADAPT-VQE enhances VQEs by dynamically building ans\"atze, it…

量子物理 · 物理学 2025-06-23 Tatiana A. Bespalova , Oumaya Ladhari , Guido Masella

Adaptive ansatz construction has emerged as a powerful technique for reducing circuit depth and improving optimization efficiency in variational quantum eigensolvers. However, existing adaptive methods, including ADAPT-VQE, rely solely on…

量子物理 · 物理学 2026-03-12 Mohammad Aamir Sohail , Toshiaki Koike-Akino

One of the main challenges in the Variational Quantum Eigensolver (VQE) framework is construction of the unitary transformation. The dimensionality of the space for unitary rotations of $N$ qubits is $4^N-1$, which makes the choice of a…

量子物理 · 物理学 2021-12-21 Artur F. Izmaylov , Manuel Díaz-Tinoco , Robert A. Lang

Lie algebras provide a useful framework for theoretical analysis in quantum machine learning, particularly in hybrid quantum-classical learning. From the viewpoint of function approximation, expectation values of parameterized quantum…

量子物理 · 物理学 2026-02-19 Hiroshi Ohno

Conservation of symmetries plays a crucial role in both classical and quantum simulations of many-body systems, enabling the tracking of states with specific symmetry properties and leading to substantial reductions in the number of…

量子物理 · 物理学 2025-11-18 Ilias Magoulas , Francesco A. Evangelista

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…

量子物理 · 物理学 2025-10-21 Mohammad Haidar , Marko J. Rančić , Thomas Ayral , Yvon Maday , Jean-Philip Piquemal

We use the Lipkin-Meshkov-Glick (LMG) model and the valence-space nuclear shell model to examine the likely performance of variational quantum eigensolvers in nuclear-structure theory. The LMG model exhibits both a phase transition and…

核理论 · 物理学 2022-06-30 A. M. Romero , J. Engel , Ho Lun Tang , Sophia E. Economou

Variational Quantum Eigensolver (VQE) is a hybrid algorithm for finding the minimum eigenvalue/vector of a given Hamiltonian by optimizing a parametrized quantum circuit (PQC) using a classical computer. Sequential optimization methods,…

量子物理 · 物理学 2024-05-17 Katsuhiro Endo , Yuki Sato , Rudy Raymond , Kaito Wada , Naoki Yamamoto , Hiroshi C. Watanabe

Many problems in robotics require reasoning over a mix of continuous dynamics and discrete events, such as making and breaking contact in manipulation and locomotion. These problems are locally well modeled by linear complementarity…

机器人学 · 计算机科学 2026-04-28 Arun L. Bishop , Micah I. Reich , Zachary Manchester

Quantum simulation, one of the most promising applications of a quantum computer, is currently being explored intensely using the variational quantum eigensolver. The feasibility and performance of this algorithm depend critically on the…

We present a self consistent field approach (SCF) within the Adaptive Derivative-Assembled Problem-Tailored Ansatz Variational Quantum Eigensolver (ADAPT-VQE) framework for efficient quantum simulations of chemical systems on near-term…

Atomic nuclei are important laboratories for exploring and testing new insights into the universe, such as experiments to directly detect dark matter or explore properties of neutrinos. The targets of interest are often heavy, complex…

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…

A connected algebraic group in characteristic 0 is uniquely determined by its Lie algebra. In this paper an algorithm is given for constructing an algebraic group in characteristic 0, given its Lie algebra. Using this an algorithm is…

环与代数 · 数学 2007-05-23 Willem de Graaf

Advances in quantum computing over the last two decades have required sophisticated mathematical frameworks to deepen the understanding of quantum algorithms. In this review, we introduce the theory of Lie groups and their algebras to…

量子物理 · 物理学 2025-12-17 P. A. S. de Alcântara , Gabriel Audi , Leandro Morais

Variational quantum eigensolvers (VQEs) represent a powerful class of hybrid quantum-classical algorithms for computing molecular energies. Various numerical issues exist for these methods, however, including barren plateaus and large…

We present a unified quantum-classical framework for addressing NP-complete constrained combinatorial optimization problems, generalizing the recently proposed Quantum Conic Programming (QCP) approach. Accordingly, it inherits many…

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