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Electronic ground states are of central importance in chemical simulations, but have remained beyond the reach of efficient classical algorithms except in cases of weak electron correlation or one-dimensional spatial geometry. We introduce…

Quantum Physics · Physics 2026-02-06 Oskar Leimkuhler , K. Birgitta Whaley

Non-Hermitian operators naturally arise in the description of open quantum systems, which exhibit features such as resonances and decay processes, where the associated eigenvalues are complex. Standard quantum algorithms, including the…

Quantum Physics · Physics 2026-04-01 Durgesh Pandey , Ankit Kumar Das , P. Arumugam

We present a framework for computing the solution to Hamiltonian eigenproblems in a subspace defined by bit-strings sampled from a quantum computer. Hamiltonians are represented using an extended alphabet that includes projection and ladder…

Quantum Physics · Physics 2026-04-01 Paul D. Nation , Abdullah Ash Saki , Hwajung Kang

Solving a quadratic nonlinear system of equations (QNSE) is a fundamental, but important, task in nonlinear science. We propose an efficient quantum algorithm for solving $n$-dimensional QNSE. Our algorithm embeds QNSE into a…

Quantum Physics · Physics 2022-10-11 Cheng Xue , Xiao-Fan Xu , Yu-Chun Wu , Guo-Ping Guo

We propose a divide-and-conquer method for the quantum-classical hybrid algorithm to solve larger problems with small-scale quantum computers. Specifically, we concatenate a variational quantum eigensolver (VQE) with a reduction in the…

Quantum Physics · Physics 2022-01-26 Keisuke Fujii , Kaoru Mizuta , Hiroshi Ueda , Kosuke Mitarai , Wataru Mizukami , Yuya O. Nakagawa

Time symmetry in quantum mechanics, where the current quantum state is determined jointly by both the past and the future, offers a more comprehensive description of physical phenomena. This symmetry facilitates both forward and backward…

Quantum Physics · Physics 2025-06-13 Shijie Wei , Jingwei Wen , Xiaogang Li , Peijie Chang , Bozhi Wang , Franco Nori , Guilu Long

The logarithm-determinant is an widely-present operation in many areas of physics and computer science. Derivatives of the logarithm-determinant compute physically relevant quantities in statistical physics models, quantum field theories,…

Quantum Physics · Physics 2025-09-23 Thomas E. Baker , Jaimie A. Greasley

We propose an adaptive random quantum algorithm to obtain an optimized eigensolver. Specifically, we introduce a general method to parametrize and optimize the probability density function of a random number generator, which is the core of…

Understanding and characterising quantum many-body dynamics remains a significant challenge due to both the exponential complexity required to represent quantum many-body Hamiltonians, and the need to accurately track states in time under…

Quantum Physics · Physics 2024-08-19 Timothy Heightman , Edward Jiang , Antonio Acín

Developing efficient quantum computing algorithms is essential for tackling computationally challenging problems across various fields. This paper presents a novel quantum algorithm, XZ24, for efficiently computing the eigen-energy spectra…

Quantum Physics · Physics 2024-09-30 Qing-Xing Xie , Yan Zhao

Quantum computation offers a promising alternative to classical computing methods in many areas of numerical science, with algorithms that make use of the unique way in which quantum computers store and manipulate data often achieving…

Quantum Physics · Physics 2022-07-19 Christopher D. Phillips , Vladimir I. Okhmatovski

A common challenge faced in quantum physics is finding the extremal eigenvalues and eigenvectors of a Hamiltonian matrix in a vector space so large that linear algebra operations on general vectors are not possible. There are numerous…

Nuclear Theory · Physics 2018-07-18 Dillon Frame , Rongzheng He , Ilse Ipsen , Daniel Lee , Dean Lee , Ermal Rrapaj

Finding the ground state of a Hamiltonian system is of great significance in many-body quantum physics and quantum chemistry. We propose an improved iterative quantum algorithm to prepare the ground state of a Hamiltonian. The crucial point…

Quantum Physics · Physics 2022-10-25 Jin-Min Liang , Qiao-Qiao Lv , Shu-Qian Shen , Ming Li , Zhi-Xi Wang , Shao-Ming Fei

With physical quantum computers becoming increasingly accessible, research on their applications across various fields has advanced rapidly. In this paper, we present the first study of quantum cosmology conducted on physical quantum…

General Relativity and Quantum Cosmology · Physics 2024-10-31 Chih-Chien Erich Wang , Jiun-Huei Proty Wu

The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules that can be obtained from a set of atomic species grow…

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for quantum simulation that can be run on near-term quantum hardware. A challenge in VQE -- as well as any other heuristic algorithm for finding ground states…

The adoption of hybrid GPU-CPU nodes in traditional supercomputing platforms opens acceleration opportunities for electronic structure calculations in materials science and chemistry applications, where medium sized Hermitian generalized…

Numerical Analysis · Computer Science 2012-07-10 Raffaele Solcà , Thomas C. Schulthess , Azzam Haidar , Stanimire Tomov , Ichitaro Yamazaki , Jack Dongarra

The determination of the ground and low-lying excited states is critical in many studies of quantum chemistry and condensed-matter physics. Recent theoretical work proposes a variational quantum eigensolver using ancillary qubits to…

Quantum Physics · Physics 2025-07-22 Huili Zhang , Yibin Guo , Guanglei Xu , Yulong Feng , Jingning Zhang , Hai-feng Yu , S. P. Zhao

We propose a hybrid quantum-classical algorithm to compute approximate solutions of binary combinatorial problems. We employ a shallow-depth quantum circuit to implement a unitary and Hermitian operator that block-encodes the weighted…

Quantum Physics · Physics 2023-06-16 Natacha Kuete Meli , Florian Mannel , Jan Lellmann

We propose quantum algorithms, purely quantum in nature, for calculating the determinant and inverse of an $(N-1)\times (N-1)$ matrix (depth is $O(N^2\log N)$) which is a simple modification of the algorithm for calculating the determinant…

Quantum Physics · Physics 2025-06-02 Alexander I. Zenchuk , Georgii A. Bochkin , Wentao Qi , Asutosh Kumar , Junde Wu