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Variational quantum algorithms (VQAs) provide a promising approach to achieve quantum advantage in the noisy intermediate-scale quantum era. In this era, quantum computers experience high error rates and quantum error detection and…

Emerging Technologies · Computer Science 2021-09-07 Salonik Resch , Anthony Gutierrez , Joon Suk Huh , Srikant Bharadwaj , Yasuko Eckert , Gabriel Loh , Mark Oskin , Swamit Tannu

The ADAPT-VQE algorithm is a promising method for generating a compact ansatz based on derivatives of the underlying cost function, and it yields accurate predictions of electronic energies for molecules. In this work we report the…

Variational quantum eigensolver (VQE) emerged as a first practical algorithm for near-term quantum computers. Its success largely relies on the chosen variational ansatz, corresponding to a quantum circuit that prepares an approximate…

Quantum Physics · Physics 2020-07-10 D. Chivilikhin , A. Samarin , V. Ulyantsev , I. Iorsh , A. R. Oganov , O. Kyriienko

Quantum computational chemistry has emerged as an important application of quantum computing. Hybrid quantum-classical computing methods, such as variational quantum eigensolvers (VQE), have been designed as promising solutions to quantum…

We propose a momentum-space based variational quantum eigensolver (VQE) framework for simulating quasiparticle excitations in interacting quantum many-body systems on near-term quantum devices. Leveraging translational invariance and other…

Strongly Correlated Electrons · Physics 2025-11-24 Saavanth Velury , Yuxuan Wang

By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational principle. In practice, the prepared quantum state is…

Quantum Physics · Physics 2021-06-29 Daniel Claudino , Jerimiah Wright , Alexander J. McCaskey , Travis S. Humble

The Variational Quantum Eigensolver (VQE) is one of the most promising and widely used algorithms for exploiting the capabilities of current Noisy Intermediate-Scale Quantum (NISQ) devices. However, VQE algorithms suffer from a plethora of…

To obtain estimates of electronic energies, the Variational Quantum Eigensolver (VQE) technique performs separate measurements for multiple parts of the system Hamiltonian. Current quantum hardware is restricted to projective single-qubit…

Quantum Physics · Physics 2019-10-22 Artur F. Izmaylov , Tzu-Ching Yen , Robert A. Lang , Vladyslav Verteletskyi

Quantum optimization algorithms hold the promise of solving classically hard, discrete optimization problems in practice. The requirement of encoding such problems in a Hamiltonian realized with a finite -- and currently small -- number of…

Quantum Physics · Physics 2023-07-10 Yifeng Rocky Zhu , David Joseph , Cong Ling , Florian Mintert

A longstanding computational challenge is the accurate simulation of many-body particle systems. Especially for deriving key characteristics of high-impact but complex systems such as battery materials and high entropy alloys (HEA). While…

Quantum Physics · Physics 2025-11-20 Koen Mesman , Yinglu Tang , Matthias Moller , Boyang Chen , Sebastian Feld

The optimization of Variational Quantum Eigensolver is severely challenged by finite-shot sampling noise, which distorts the cost landscape, creates false variational minima, and induces statistical bias called winner's curse. We…

Quantum Physics · Physics 2025-11-12 Vojtěch Novák , Silvie Illésová , Tomáš Bezděk , Ivan Zelinka , Martin Beseda

Current noisy intermediate-scale quantum (NISQ) devices remain limited in their ability to perform accurate quantum chemistry simulations due to restricted numbers of high-fidelity qubits and short coherence times. To overcome these…

Quantum Physics · Physics 2026-04-23 Yuhan Zheng , Yibin Guo , Huili Zhang , Jie Liu , Xiongzhi Zeng , Xiaoxia Cai , Zhenyu Li , Jinlong Yang

In this work we integrate the variational quantum eigensolver (VQE) with the adiabatic connection (AC) method for efficient simulations of chemical problems on near-term quantum computers. Orbital optimized VQE methods are employed to…

Quantum Physics · Physics 2023-10-10 Mikuláš Matoušek , Katarzyna Pernal , Fabijan Pavošević , Libor Veis

Accurate determination of ground-state energies for molecules remains a challenge in quantum chemistry and a cornerstone for progress in fields such as drug discovery and materials design. The Variational Quantum Eigensolver (VQE)…

The VQE algorithm has turned out to be quite expensive to run given the way we currently access quantum processors (i.e. over the cloud). In order to alleviate this issue, we introduce Quantum Sampling Regression (QSR), an alternative…

Quantum Physics · Physics 2020-12-07 Pedro Rivero , Ian C. Cloët , Zack Sullivan

Variational quantum eigensolver (VQE) is demonstrated to be the promising methodology for quantum chemistry based on near-term quantum devices. However, many problems are yet to be investigated for this methodology, such as the influences…

Chemical Physics · Physics 2021-01-18 Xian-Hu Zha , Chao Zhang , Dengdong Fan , Pengxiang Xu , Shiyu Du , Rui-Qin Zhang , Chen Fu

The social worker scheduling problem is a class of combinatorial optimization problems that combines scheduling with routing issues. These types of problems with classical computing can only be solved, in the best of cases, in an…

The variational quantum eigensolver (VQE) is currently the flagship algorithm for solving electronic structure problems on near-term quantum computers. This hybrid quantum/classical algorithm involves implementing a sequence of…

We present a collection of optimizers tuned for usage on Noisy Intermediate-Scale Quantum (NISQ) devices. Optimizers have a range of applications in quantum computing, including the Variational Quantum Eigensolver (VQE) and Quantum…

Quantum Physics · Physics 2021-04-16 Wim Lavrijsen , Ana Tudor , Juliane Müller , Costin Iancu , Wibe de Jong

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.…