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The variational approach is a cornerstone of computational physics, considering both conventional and quantum computing computational platforms. The variational quantum eigensolver (VQE) algorithm aims to prepare the ground state of a…

Quantum Physics · Physics 2022-12-16 Nikita Astrakhantsev , Guglielmo Mazzola , Ivano Tavernelli , Giuseppe Carleo

Current quantum computers are limited in the number of qubits and coherence time, constraining the algorithms executable with sufficient fidelity. The variational quantum eigensolver (VQE) is an algorithm to find an approximate ground state…

Quantum Physics · Physics 2023-01-24 Luca Erhart , Kosuke Mitarai , Wataru Mizukami , Keisuke Fujii

We propose a variational quantum algorithm to study the real time dynamics of quantum systems as a ground-state problem. The method is based on the original proposal of Feynman and Kitaev to encode time into a register of auxiliary qubits.…

Quantum Physics · Physics 2023-02-16 Stefano Barison , Filippo Vicentini , Ignacio Cirac , Giuseppe Carleo

The efficient calculation of Hamiltonian spectra, a problem often intractable on classical machines, can find application in many fields, from physics to chemistry. Here, we introduce the concept of an "eigenstate witness" and through it…

The variational quantum eigensolver (VQE) and its variants, which is a method for finding eigenstates and eigenenergies of a given Hamiltonian, are appealing applications of near-term quantum computers. Although the eigenenergies are…

Quantum Physics · Physics 2020-02-12 Kosuke Mitarai , Yuya O. Nakagawa , Wataru Mizukami

The variational quantum eigensolver (VQE) is a method that uses a hybrid quantum-classical computational approach to find eigenvalues and eigenvalues of a Hamiltonian. VQE has been proposed as an alternative to fully quantum algorithms such…

Quantum Physics · Physics 2021-09-01 Dmitry A. Fedorov , Bo Peng , Niranjan Govind , Yuri Alexeev

The procedure for simulating the nuclear magnetic resonance spectrum linked to the spin system of a molecule for a certain nucleus entails diagonalizing the associated Hamiltonian matrix. As the dimensions of said matrix grow exponentially…

Quantum Physics · Physics 2024-10-29 Joaquín Ossorio-Castillo , Alexandre Rodríguez-Coello

Near-term quantum computers will be limited in the number of qubits on which they can process information as well as the depth of the circuits that they can coherently carry out. To-date, experimental demonstrations of algorithms such as…

Chemical Physics · Physics 2023-10-18 Joel Bierman , Yingzhou Li , Jianfeng Lu

Simulations of quantum chemistry and quantum materials are believed to be among the most important potential applications of quantum information processors, but realizing practical quantum advantage for such problems is challenging. Here,…

Quantum mechanics has introduced a new theoretical framework for the study of molecules, enabling the prediction of properties and dynamics through the solution of the Schr\"odinger equation applied to these systems. However, solving this…

Variational quantum algorithms (VQAs) are a modern family of quantum algorithms designed to solve optimization problems using a quantum computer. Typically VQAs rely on a feedback loop between the quantum device and a classical optimization…

Quantum Physics · Physics 2022-08-26 Alexey Uvarov

We report the first electronic structure calculation performed on a quantum computer without exponentially costly precompilation. We use a programmable array of superconducting qubits to compute the energy surface of molecular hydrogen…

Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…

Quantum Physics · Physics 2023-05-30 Changsu Cao , Jinzhao Sun , Xiao Yuan , Han-Shi Hu , Hung Q. Pham , Dingshun Lv

Over the last decade, researchers have been working to improve a crucial aspect of quantum computing to predict Hamiltonian energy of solids. Quantum algorithms such as Variational Quantum Eigensolver (VQE) and Variational Quantum Deflation…

Materials Science · Physics 2025-09-03 Naman Khandelwal , Nidhi Verma , Pooja Jamdagni , Ashok Kumar

Solutions to many-body problem instances often involve an intractable number of degrees of freedom and admit no known approximations in general form. In practice, representing quantum-mechanical states of a given Hamiltonian using available…

Quantum Physics · Physics 2020-11-10 Andrey Kardashin , Alexey Uvarov , Dmitry Yudin , Jacob Biamonte

Variational quantum eigensolver(VQE) typically minimizes energy with hybrid quantum-classical optimization, which aims to find the ground state. Here, we propose a VQE by minimizing energy variance, which is called as variance-VQE(VVQE).…

Quantum Physics · Physics 2020-06-30 Dan-Bo Zhang , Zhan-Hao Yuan , Tao Yin

The capacity for solving eigenstates with a quantum computer is key for ultimately simulating physical systems. Here we propose inverse iteration quantum eigensolvers, which exploit the power of quantum computing for the classical inverse…

Quantum Physics · Physics 2022-03-09 Min-Quan He , Dan-Bo Zhang , Z. D. Wang

Quantum computers have the potential to speed up certain problems that are hard for classical computers. Hybrid systems, such as the nitrogen vacancy (NV) center in diamond, are among the most promising systems to implement quantum…

Quantum Physics · Physics 2020-07-22 Jingfu Zhang , Swathi S. Hegde , Dieter Suter

Quantum spin systems may offer the first opportunities for beyond-classical quantum computations of scientific interest. While general quantum simulation algorithms likely require error-corrected qubits, there may be applications of…

Current quantum simulators are primarily qubit-based, making them naturally suitable for simulating 2-level quantum systems. However, many systems in nature are inherently $d$-level, including higher spins, bosons, vibrational modes, and…

Quantum Physics · Physics 2024-06-26 Chufan Lyu , Zuoheng Zou , Xusheng Xu , Man-Hong Yung , Abolfazl Bayat