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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…

Quantum Physics · Physics 2023-06-14 V. O. Shkolnikov , Nicholas J. Mayhall , Sophia E. Economou , Edwin Barnes

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…

Quantum simulation of chemical systems is one of the most promising near-term applications of quantum computers. The variational quantum eigensolver, a leading algorithm for molecular simulations on quantum hardware, has a serious…

Quantum Physics · Physics 2019-07-16 Harper R. Grimsley , Sophia E. Economou , Edwin Barnes , Nicholas J. Mayhall

Adaptive variational quantum eigensolvers (ADAPT-VQEs) are promising candidates for simulations of strongly correlated systems on near-term quantum hardware. To further improve the noise resilience of these algorithms, recent efforts have…

We propose an adaptive quantum algorithm to prepare accurate variational time evolved wave functions. The method is based on the projected Variational Quantum Dynamics (pVQD) algorithm, that performs a global optimization with linear…

Quantum Physics · Physics 2025-02-20 David Linteau , Stefano Barison , Netanel Lindner , Giuseppe Carleo

Quantum computing uses the physical principles of very small systems to develop computing platforms which can solve problems that are intractable on conventional supercomputers. There are challenges not only in building the required…

Quantum Physics · Physics 2024-11-19 Dieter Jaksch , Peyman Givi , Andrew J. Daley , Thomas Rung

Variational quantum algorithms involve training parameterized quantum circuits using a classical co-processor. An important variational algorithm, designed for combinatorial optimization, is the quantum approximate optimization algorithm.…

Adaptive construction of ansatz circuits offers a promising route towards applicable variational quantum eigensolvers on near-term quantum hardware. Those algorithms aim to build up optimal circuits for a certain problem and ansatz circuits…

Quantum Physics · Physics 2024-03-14 Zi-Jian Zhang , Thi Ha Kyaw , Jakob S. Kottmann , Matthias Degroote , Alán Aspuru-Guzik

Emerging quantum hardware provides new possibilities for quantum simulation. While much of the research has focused on simulating closed quantum systems, the real-world quantum systems are mostly open. Therefore, it is essential to develop…

Quantum Physics · Physics 2024-02-14 Huo Chen , Niladri Gomes , Siyuan Niu , Wibe Albert de Jong

We investigate the role of symmetries in constructing resource-efficient operator pools for adaptive variational quantum eigensolvers. In particular, we focus on the lattice Schwinger model, a discretized model of $1+1$ dimensional…

We introduce an optimisation method for variational quantum algorithms and experimentally demonstrate a 100-fold improvement in efficiency compared to naive implementations. The effectiveness of our approach is shown by obtaining…

Current gate-based quantum computers have the potential to provide a computational advantage if algorithms use quantum hardware efficiently. To make combinatorial optimization more efficient, we introduce the Filtering Variational Quantum…

Symmetry adaptation, universality, and gate efficiency are central but often competing requirements in quantum algorithms for electronic structure and many-body physics. For example, fully symmetry-adapted universal operator pools typically…

Quantum Physics · Physics 2025-12-16 Ilias Magoulas , Muhan Zhang , Francesco A. Evangelista

Quantum simulation is a foundational application for quantum computers, projected to offer insights into complex quantum systems beyond the reach of classical computation. However, with the exception of Trotter-based methods, which suffer…

Quantum Physics · Physics 2026-02-10 Amir Kalev , Itay Hen

Highly excited states of quantum many-body systems are central objects in the study of quantum dynamics and thermalization that challenge classical computational methods due to their volume-law entanglement content. In this work, we explore…

Quantum Physics · Physics 2022-02-17 Feng Zhang , Niladri Gomes , Yongxin Yao , Peter P. Orth , Thomas Iadecola

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…

Quantum Physics · Physics 2026-03-12 Mohammad Aamir Sohail , Toshiaki Koike-Akino

The adaptive derivative-assembled problem-tailored variational quantum eigensolver (ADAPT-VQE) is one of the most widely used algorithms for electronic structure calculations in quantum computers. It adaptively selects operators based on…

Chemical Physics · Physics 2025-08-29 Nonia Vaquero-Sabater , Abel Carreras , David Casanova

ADAPT-VQE is one of the leading VQE algorithms which circumvents the choice-of-ansatz conundrum by iteratively growing compact and arbitrarily accurate problem-tailored ans\"atze. However, for hardware-efficient operator pools, the…

Quantum Physics · Physics 2023-10-03 Panagiotis G. Anastasiou , Nicholas J. Mayhall , Edwin Barnes , Sophia E. Economou

The quantum approximate optimisation algorithm was proposed as a heuristic method for solving combinatorial optimisation problems on near-term quantum computers and may be among the first algorithms to perform useful computations in the…

Quantum Physics · Physics 2022-11-10 David Headley , Thorge Müller , Ana Martin , Enrique Solano , Mikel Sanz , Frank K. Wilhelm

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…

Quantum Physics · Physics 2025-06-23 Tatiana A. Bespalova , Oumaya Ladhari , Guido Masella
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