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Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…

Quantum Physics · Physics 2011-03-08 James D. Whitfield , Jacob Biamonte , Alán Aspuru-Guzik

By exploiting the invariance of the molecular Hamiltonian by a unitary transformation of the orbitals it is possible to significantly shorter the depth of the variational circuit in the Variational Quantum Eigensolver (VQE) algorithm by…

Quantum Physics · Physics 2025-09-03 Leonardo Ratini , Chiara Capecci , Leonardo Guidoni

Anharmonic potential quantum system play crucial role in physics as they provide a more realistic description of oscillatory phenomena, which often deviate from the idealized harmonic model. However, simulating such system on classical…

Quantum Physics · Physics 2025-10-08 Saurav Suman , Bikash K. Behera , Vivek Vyas , Prasanta k. Panigrahi

We report an attempt to calculate energy eigenvalues of large quantum systems by the diagonalization of an effectively truncated Hamiltonian matrix. For this purpose we employ a specific way to systematically make a set of orthogonal states…

Strongly Correlated Electrons · Physics 2009-10-31 T. Munehisa , Y. Munehisa

We adapt the robust phase estimation algorithm to the evaluation of energy differences between two eigenstates using a quantum computer. This approach does not require controlled unitaries between auxiliary and system registers or even a…

Quantum Physics · Physics 2021-06-02 A. E. Russo , K. M. Rudinger , B. C. A. Morrison , A. D. Baczewski

We propose a general-purpose quantum algorithm for preparing ground states of quantum Hamiltonians from a given trial state. The algorithm is based on techniques recently developed in the context of solving the quantum linear systems…

Quantum Physics · Physics 2018-02-05 Yimin Ge , Jordi Tura , J. Ignacio Cirac

Finding eigenstates of a given many-body Hamiltonian is a long-standing challenge due to the perceived computational complexity. Leveraging on the hardware of a quantum computer accommodating the exponential growth of the Hilbert space size…

Quantum Physics · Physics 2026-05-05 Nannan Ma , Heng Dai , Jiangbin Gong

The preparation of Hamiltonian eigenstates is essential for many applications in quantum computing; the efficiency with which this can be done is of key interest. A canonical approach exploits the quantum phase estimation (QPE) algorithm.…

Quantum Physics · Physics 2022-12-05 Richard Meister , Simon C. Benjamin

Achieving quantum advantage in efficiently estimating collective properties of quantum many-body systems remains a fundamental goal in quantum computing. While the quantum gradient estimation (QGE) algorithm has been shown to achieve doubly…

Quantum Physics · Physics 2025-05-05 Yuki Koizumi , Kaito Wada , Wataru Mizukami , Nobuyuki Yoshioka

Modeling low energy eigenstates of fermionic systems can provide insight into chemical reactions and material properties and is one of the most anticipated applications of quantum computing. We present three techniques for reducing the cost…

Recent advances in quantum computing devices have brought attention to hybrid quantum-classical algorithms like the Variational Quantum Eigensolver (VQE) as a potential route to practical quantum advantage in chemistry. However, it is not…

Ridge regression (RR) is an important machine learning technique which introduces a regularization hyperparameter $\alpha$ to ordinary multiple linear regression for analyzing data suffering from multicollinearity. In this paper, we present…

Quantum Physics · Physics 2021-08-03 Chao-Hua Yu , Fei Gao , Qiao-Yan Wen

Large-scale eigenvalue problems pose a significant challenge to classical computers. While there are efficient quantum algorithms for unitary or Hermitian matrices, eigenvalue problems for non-normal matrices remain open in quantum…

Quantum Physics · Physics 2026-03-25 Honghong Lin , Yun Shang

Harnessing the full power of nascent quantum processors requires the efficient management of a limited number of quantum bits with finite lifetime. Hybrid algorithms leveraging classical resources have demonstrated promising initial results…

We describe a quantum algorithm for finding the smallest eigenvalue of a Hermitian matrix. This algorithm combines Quantum Phase Estimation and Quantum Amplitude Estimation to achieve a quadratic speedup with respect to the best classical…

Preparing the ground state of a given Hamiltonian and estimating its ground energy are important but computationally hard tasks. However, given some additional information, these problems can be solved efficiently on a quantum computer. We…

Quantum Physics · Physics 2020-12-16 Lin Lin , Yu Tong

Hamiltonian learning is a cornerstone for advancing accurate many-body simulations, improving quantum device performance, and enabling quantum-enhanced sensing. Existing readily deployable quantum metrology techniques primarily focus on…

Quantum Physics · Physics 2025-10-10 Suying Liu , Xiaodi Wu , Murphy Yuezhen Niu

With the advent and development of quantum computers, various quantum algorithms that can solve linear equations and eigenvalues faster than classical computers have been developed. The Harrow-Hassidim-Lloyd algorithm is an algorithm that…

Quantum Physics · Physics 2025-06-23 Hyunju Lee , Kyungtaek Jun

The use of near-term quantum devices that lack quantum error correction, for addressing quantum chemistry and physics problems, requires hybrid quantum-classical algorithms and techniques. Here we present a process for obtaining the…

Quantum Physics · Physics 2023-08-14 Pejman Jouzdani , Stefan Bringuier

This study explores hardware implementation of Robust Amplitude Estimation (RAE) on IBM quantum devices, demonstrating its application in quantum chemistry for one- and two-qubit Hamiltonian systems. Known for potentially offering quadratic…