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We develop an extension of the variational quantum eigensolver (VQE) algorithm - multistate, contracted VQE (MC-VQE) - that allows for the efficient computation of the transition energies between the ground state and several low-lying…

Quantum Physics · Physics 2019-06-19 Robert M. Parrish , Edward G. Hohenstein , Peter L. McMahon , Todd J. Martinez

Computational methods are the most effective tools we have besides scientific experiments to explore the properties of complex biological systems. Progress is slowing because digital silicon computers have reached their limits in terms of…

Quantum Physics · Physics 2020-04-03 Viv Kendon

Numerical simulation of quantum systems is crucial to further our understanding of natural phenomena. Many systems of key interest and importance, in areas such as superconducting materials and quantum chemistry, are thought to be described…

Quantum Physics · Physics 2010-11-17 Katherine L Brown , William J Munro , Vivien M Kendon

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

Currently, quantum hardware is restrained by noises and qubit numbers. Thus, a quantum virtual machine that simulates operations of a quantum computer on classical computers is a vital tool for developing and testing quantum algorithms…

Quantum Physics · Physics 2022-06-10 Chuong Nguyen Quoc , Le Bin Ho , Lan Nguyen Tran , Hung Q. Nguyen

Determining ground state energies of quantum systems by hybrid classical/quantum methods has emerged as a promising candidate application for near-term quantum computational resources. Short of large-scale fault-tolerant quantum computers,…

Quantum Physics · Physics 2016-10-25 Nicholas C. Rubin

The real world obeys quantum physics and quantum computing presents an alternative way to map physical problems to systems that follow the same laws. Such computation fundamentally constitutes a better way to understand the most challenging…

Quantum Physics · Physics 2024-11-22 Elena Chachkarova , Terence Tse , Yordan Yordanov , Yao Wei , Cedric Weber

Quantum computing has become increasingly practical in solving real-world problems due to advances in hardware and algorithms. In this paper, we aim to design and estimate quantum machine learning and hybrid quantum-classical models in a…

Quantum Physics · Physics 2025-07-14 Leyang Wang , Yilun Gong , Zongrui Pei

If a large Quantum Computer (QC) existed today, what type of physical problems could we efficiently simulate on it that we could not simulate on a classical Turing machine? In this paper we argue that a QC could solve some relevant physical…

Quantum Physics · Physics 2009-11-10 Rolando Somma , Gerardo Ortiz , Emanuel Knill , James Gubernatis

Quantum computers are special purpose machines that are expected to be particularly useful in simulating strongly correlated chemical systems. The quantum computer excels at treating a moderate number of orbitals within an active space in a…

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

Quantum computers are promising tools for simulating many-body quantum systems due to their potential scaling advantage over classical computers. While significant effort has been expended on many-fermion systems, here we simulate a model…

Quantum Physics · Physics 2023-07-17 Yuchen Wang , LeeAnn M. Sager-Smith , David A. Mazziotti

Hybrid algorithms that combine quantum and classical resources have become commonplace in quantum computing. The variational quantum eigensolver (VQE) is routinely used to solve prototype problems. Currently, hybrid algorithms use no more…

Quantum Physics · Physics 2024-08-27 Manpreet Singh Jattana

Quantum computing promises to speed up some of the most challenging problems in science and engineering. Quantum algorithms have been proposed showing theoretical advantages in applications ranging from chemistry to logistics optimization.…

Quantum Physics · Physics 2021-11-12 Niklas Heim , Atiyo Ghosh , Oleksandr Kyriienko , Vincent E. Elfving

Time evolution of quantum systems is of interest in physics, in chemistry, and, more recently, in computer science. Quantum computers are suggested as one route to propagating quantum systems far more efficiently than ordinary numerical…

Quantum Physics · Physics 2015-02-13 James Daniel Whitfield

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for preparing ground states in the current era of noisy devices. The classical component of the algorithm requires a large number of measurements on…

Quantum Physics · Physics 2025-03-27 Akib Karim , Shaobo Zhang , Muhammad Usman

The variational quantum eigensolver (VQE) is an attracting possible application of near-term quantum computers. Originally, the aim of the VQE is to find a ground state for a given specific Hamiltonian. It is achieved by minimizing the…

Quantum Physics · Physics 2019-04-30 Kosuke Mitarai , Tennin Yan , Keisuke Fujii

The advent of quantum computers, operating on entirely different physical principles and abstractions from those of classical digital computers, sets forth a new computing paradigm that can potentially result in game-changing efficiencies…

Quantum Physics · Physics 2024-10-08 Burigede Liu , Michael Ortiz , Fehmi Cirak

The variational quantum eigensolver (VQE) is an algorithm for finding the ground states of a given Hamiltonian. Its application to binary-formulated combinatorial optimization (CO) has been widely studied in recent years. However, typical…

Quantum Physics · Physics 2025-08-08 Ningyi Xie , Xinwei Lee , Tiejin Chen , Yoshiyuki Saito , Nobuyoshi Asai , Dongsheng Cai

Although a universal quantum computer is still far from reach, the tremendous advances in controllable quantum devices, in particular with solid-state systems, make it possible to physically implement "quantum simulators". Quantum…

Quantum Physics · Physics 2016-06-08 Zhixin Wang , Xiu Gu , Lian-Ao Wu , Yu-xi Liu