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The quantum approximate optimization algorithm is commonly used to solve combinatorial optimization problems. While unconstrained problems map naturally into the algorithm, incorporating constraints typically requires penalizing constraint…

Quantum Physics · Physics 2025-09-01 Matthew Brunet , Shilpi Shah , Mostafa Atallah , Anthony Wilkie , Rebekah Herrman

Variational quantum algorithms exploit the features of superposition and entanglement to optimize a cost function efficiently by manipulating the quantum states. They are suitable for noisy intermediate-scale quantum (NISQ) computers that…

Quantum Physics · Physics 2023-08-29 Yunya Liu , Jiakun Liu , Jordan R. Raney , Pai Wang

Quantum processing units boost entanglement at the level of hardware and enable physical simulations of highly correlated electron states in molecules and intermolecular chemical bonds. The variational quantum eigensolver provides a…

Quantum optimization allows for up to exponential quantum speedups for specific, possibly industrially relevant problems. As the key algorithm in this field, we motivate and discuss the Quantum Approximate Optimization Algorithm (QAOA),…

Quantum Physics · Physics 2025-11-18 Jonas Stein , Maximilian Zorn , Leo Sünkel , Thomas Gabor

Variational quantum eigensolvers are touted as a near-term algorithm capable of impacting many applications. However, the potential has not yet been realized, with few claims of quantum advantage and high resource estimates, especially due…

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

Variational Quantum Algorithms (VQAs) are a leading approach for near-term quantum computing but face major optimization challenges from noise, barren plateaus, and complex energy landscapes. We benchmarked more than fifty metaheuristic…

Quantum Physics · Physics 2025-09-30 Vojtěch Novák , Ivan Zelinka , Václav Snášel

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…

We demonstrate the use of the Variational Quantum Eigensolver (VQE) to simulate solid state crystalline materials. We adapt the Unitary Coupled Cluster ansatz to periodic boundary conditions in real space and momentum space representations…

In the rapidly advancing domain of quantum optimization, the confluence of quantum algorithms such as Quantum Annealing (QA) and the Quantum Approximate Optimization Algorithm (QAOA) with robust optimization methodologies presents a…

Quantum Physics · Physics 2024-05-14 Pascal Halffmann , Steve Lenk , Michael Trebing

This work studies the variational quantum eigensolver algorithm, designed to determine the ground state of a quantum mechanical system by combining classical and quantum hardware. Methods of reducing the number of required qubit…

Quantum Physics · Physics 2022-03-01 R. J. P. T. de Keijzer , V. E. Colussi , B. Škorić , S. J. J. M. F. Kokkelmans

Variational Quantum Algorithms (VQAs) are a class of hybrid quantum-classical algorithms that leverage on classical optimization tools to find the optimal parameters for a parameterized quantum circuit. One relevant application of VQAs is…

Quantum Physics · Physics 2026-01-26 Mirko Legnini , Julian Berberich

Quantum computers have emerged as a promising platform to simulate the strong electron correlation that is crucial to catalysis and photochemistry. However, owing to the choice of a trial wave function employed in the popular hybrid…

Chemical Physics · Physics 2023-07-17 Fabijan Pavošević , Ivano Tavernelli , Angel Rubio

The intractability of deterministic solutions in solving $\mathcal{NP}$-Hard Combinatorial Optimisation Problems (COP) is well reported in the literature. One mechanism for overcoming this difficulty has been the use of efficient COP…

Quantum Physics · Physics 2022-04-25 Maxine T. Khumalo , Hazel A. Chieza , Krupa Prag , Matthew Woolway

Variational Quantum optimization algorithms, such as the Variational Quantum Eigensolver (VQE) or the Quantum Approximate Optimization Algorithm (QAOA), are among the most studied quantum algorithms. In our work, we evaluate and improve an…

Quantum Physics · Physics 2022-10-24 David Winderl , Nicola Franco , Jeanette Miriam Lorenz

While the ultimate goal of solving computationally intractable problems is to find a provably optimal solutions, practical constraints of real-world scenarios often necessitate focusing on efficiently obtaining high-quality, near-optimal…

Quantum Physics · Physics 2025-04-23 Prashanti Priya Angara , Emily Martins , Ulrike Stege , Hausi Müller

We present a hardware-efficient optimization scheme for quantum chemistry calculations, utilizing the Sampled Quantum Diagonalization (SQD) method. Our algorithm, optimized SQD (SQDOpt), combines the classical Davidson method technique with…

Quantum Physics · Physics 2025-03-05 Nora Bauer , Kübra Yeter-Aydeniz , George Siopsis

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

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

A family of Variational Quantum Eigensolver (VQE) methods is designed to maximize the resource of existing noisy intermediate-scale quantum (NISQ) devices. However, VQE approaches encounter various difficulties in simulating molecules of…

Chemical Physics · Physics 2022-08-16 M. D. Sapova , A. K. Fedorov