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Spectroscopy is the most important method for probing the structure of molecules. However, predicting molecular spectra on classical computers is computationally expensive, with the most accurate methods having a cost that grows…

Quantum Physics · Physics 2025-10-06 Liam P. Flew , Ivan Kassal

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

Spectroscopy is one of the most accurate probes of the molecular world. However, predicting molecular spectra accurately is computationally difficult because of the presence of entanglement between electronic and nuclear degrees of freedom.…

This paper shows a novel way of simulating a Markov process by a quantum computer. The main purpose of the paper is to show a particular application of quantum computing in the field of stochastic processes analysis. Using a Quantum…

Quantum Physics · Physics 2020-01-08 Petar Nikolov

Spectroscopy is an indispensable tool in understanding the structures and dynamics of molecular systems. However computational modelling of spectroscopy is challenging due to the exponential scaling of computational complexity with system…

Quantum Physics · Physics 2021-06-22 Chee-Kong Lee , Chang-Yu Hsieh , Shengyu Zhang , Liang Shi

Including the effect of the molecular environment in the numerical modeling of time-resolved electronic spectroscopy remains an important challenge in computational spectroscopy. In this contribution, we present a general approach for the…

Quantum Physics · Physics 2024-12-17 Federico Gallina , Matteo Bruschi , Roberto Cacciari , Barbara Fresch

We introduce spectral quantum tomography, a simple method to extract the eigenvalues of a noisy few-qubit gate, represented by a trace-preserving superoperator, in a SPAM-resistant fashion, using low resources in terms of gate sequence…

Quantum Physics · Physics 2020-02-19 Jonas Helsen , Francesco Battistel , Barbara M. Terhal

When a probe qubit is coupled to a quantum register that represents a physical system, the probe qubit will exhibit a dynamical response only when it is resonant with a transition in the system. Using this principle, we propose a quantum…

Quantum Physics · Physics 2014-02-19 Hefeng Wang , Heng Fan , Fuli Li

The efficient probing of spectral features is important for characterising and understanding the structure and dynamics of quantum materials. In this work, we establish a framework for probing the excitation spectrum of quantum many-body…

Quantum Physics · Physics 2025-02-11 Jinzhao Sun , Lucia Vilchez-Estevez , Vlatko Vedral , Andrew T. Boothroyd , M. S. Kim

Spectroscopy underpins modern scientific discovery across diverse disciplines. While experimental spectroscopy probes material properties through scattering or radiation measurements, computational spectroscopy combines theoretical models…

Simulation of a quantum many-body system at finite temperatures is crucially important but quite challenging. Here we present an experimentally feasible quantum algorithm assisted with continuous-variable for simulating quantum systems at…

Quantum Physics · Physics 2021-07-14 Dan-Bo Zhang , Guo-Qing Zhang , Zheng-Yuan Xue , Shi-Liang Zhu , Z. D. Wang

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…

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,…

Analog quantum simulators can be used to study quantum correlation in novel many-body systems by emulating the Hamiltonian of these systems. One essential question in quantum simulation is to probe the properties of an emulated many-body…

Quantum Physics · Physics 2015-07-29 Liang-Hui Du , J. Q. You , Lin Tian

Quantum computing promises to revolutionize several scientific and technological domains through fundamentally new ways of processing information. Among its most compelling applications is digital quantum simulation, where quantum computers…

Quantum Physics · Physics 2026-02-05 Laurin E. Fischer

Resolving quantum many-body problems represents one of the greatest challenges in physics and physical chemistry, due to the prohibitively large computational resources that would be required by using classical computers. A solution has…

Modeling non-Hermitian Hamiltonians is increasingly important in classical and quantum domains, especially when studying open systems, $PT$ symmetry, and resonances. However, the quantum simulation of these models has been limited by the…

Quantum Physics · Physics 2025-02-20 Anastashia Jebraeilli , Michael R. Geller

Spectroscopy is a crucial laboratory technique for understanding quantum systems through their interactions with electromagnetic radiation. Particularly, spectroscopy is capable of revealing the physical structure of molecules, leading to…

Quantum Physics · Physics 2018-05-24 Ling Hu , YueChi Ma , Y. Xu , W. Wang , Y. Ma , K. Liu , M. -H. Yung , L. Sun

This note discusses a method for computing the energy spectra of quantum field theory utilizing digital quantum simulation. A quantum algorithm, called coherent imaging spectroscopy, quenches the vacuum with a time-oscillating perturbation…

High Energy Physics - Lattice · Physics 2024-04-24 Dongwook Ghim , Masazumi Honda

Quantum simulators, in which well controlled quantum systems are used to reproduce the dynamics of less understood ones, have the potential to explore physics that is inaccessible to modeling with classical computers. However, checking the…

Quantum Physics · Physics 2015-06-18 C. Senko , J. Smith , P. Richerme , A. Lee , W. C. Campbell , C. Monroe
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