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The electronic structure problem is one of the main problems in modern theoretical chemistry. While there are many already-established methods both for the problem itself and its applications like semi-classical or quantum dynamics, it…

Quantum Physics · Physics 2024-10-25 Martin Beseda , Silvie Illésová , Saad Yalouz , Bruno Senjean

Quantum chemistry is among the most promising applications of quantum computing, offering the potential to solve complex electronic structure problems more efficiently than classical approaches. A critical component of any quantum algorithm…

Quantum Physics · Physics 2025-06-02 Smik Patel , Praveen Jayakumar , Tzu-Ching Yen , Artur F. Izmaylov

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

The variational quantum eigensolver (VQE), a variational algorithm to obtain an approximated ground state of a given Hamiltonian, is an appealing application of near-term quantum computers. The original work [A. Peruzzo et al.; \textit{Nat.…

Quantum Physics · Physics 2019-11-06 Ken M Nakanishi , Kosuke Mitarai , Keisuke Fujii

Accurate state preparation is a critical bottleneck in many quantum algorithms, particularly those for ground state energy estimation. Even in fault-tolerant quantum computing, preparing a quantum state with sufficient overlap to the…

Quantum Physics · Physics 2025-10-07 Gwonhak Lee , Minhyeok Kang , Jungsoo Hong , Stepan Fomichev , Joonsuk Huh

Randomized block Krylov subspace methods form a powerful class of algorithms for computing the extreme eigenvalues of a symmetric matrix or the extreme singular values of a general matrix. The purpose of this paper is to develop new…

Numerical Analysis · Mathematics 2021-10-05 Joel A. Tropp

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

Variational quantum algorithms (VQAs) provide a promising approach to achieving quantum advantage for practical problems on near-term noisy intermediate-scale quantum (NISQ) devices. Thus far, most studies on VQAs have focused on…

Quantum Physics · Physics 2023-10-06 Yutaro Enomoto , Keitaro Anai , Kenta Udagawa , Shuntaro Takeda

The Variational Quantum Eigensolver (VQE) is widely regarded as a promising algorithm for calculating ground states of quantum systems that are intractable for classical computers. This promise is typically motivated by the hope of…

Quantum Physics · Physics 2026-04-13 Manuel Hagelueken , David A. Kreplin , Florian Wieland , Marco F. Huber , Marco Roth

This paper is an algorithmic study of quantum phase estimation with multiple eigenvalues. We present robust multiple-phase estimation (RMPE) algorithms with Heisenberg-limited scaling. The proposed algorithms improve significantly from the…

Quantum Physics · Physics 2023-10-26 Haoya Li , Hongkang Ni , Lexing Ying

The current generation of noisy intermediate scale quantum computers introduces new opportunities to study quantum many-body systems. In this paper, we show that quantum circuits can provide a dramatically more efficient representation than…

Quantum Physics · Physics 2021-03-24 Sheng-Hsuan Lin , Rohit Dilip , Andrew G. Green , Adam Smith , Frank Pollmann

A new basis adaptive algorithm for hybrid quantum-classical platforms is introduced to efficiently find the ground-state (gs) properties of quantum many-body systems. The method addresses limitations of many algorithms, such as Variational…

Strongly Correlated Electrons · Physics 2025-12-16 Anutosh Biswas , Sayan Ghosh , Ritajit Majumdar , Mostafizur Rahaman , Manoranjan Kumar

The dynamics of quantum systems unfolds within a subspace of the state space or operator space, known as the Krylov space. This review presents the use of Krylov subspace methods to provide an efficient description of quantum evolution and…

Variational quantum algorithms (VQAs) are prominent candidates for near-term quantum advantage but lack rigorous guarantees of convergence and generalization. By contrast, quantum phase estimation (QPE) provides provable performance under…

Quantum Physics · Physics 2025-10-09 Tuyen Nguyen , Mária Kieferová

As a signal recovery algorithm, compressed sensing is particularly useful when the data has low-complexity and samples are rare, which matches perfectly with the task of quantum phase estimation (QPE). In this work we present a new…

Quantum Physics · Physics 2025-01-01 Changhao Yi , Cunlu Zhou , Jun Takahashi

Quantum variational algorithms (QVAs) are increasingly potent tools for simulating quantum many-body systems on noisy intermediate-scale quantum (NISQ) devices. This work examines the application of the Variational Quantum Eigensolver (VQE)…

Nuclear Theory · Physics 2026-01-28 Dhritimalya Roy , Somnath Nag

Quantum computing has gained a lot of attention recently, and scientists have seen potential applications in this field using quantum computing for Cryptography and Communication to Machine Learning and Healthcare. Protein folding has been…

Quantum Physics · Physics 2022-11-16 Hasan Mustafa , Sai Nandan Morapakula , Prateek Jain , Srinjoy Ganguly

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…

The study and prediction of chemical reactivity is one of the most important application areas of molecular quantum chemistry. Large-scale, fully error-tolerant quantum computers could provide exact or near-exact solutions to the underlying…

Quantum Physics · Physics 2019-09-12 Michael Kühn , Sebastian Zanker , Peter Deglmann , Michael Marthaler , Horst Weiß

Many computationally hard problems can be encoded in quantum Hamiltonians. The solution to these problems is given by the ground states of these Hamiltonians. A state-of-the-art algorithm for finding the ground state of a Hamiltonian is the…

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