scholarly journals Hardware efficient quantum algorithms for vibrational structure calculations

2020 ◽  
Vol 11 (26) ◽  
pp. 6842-6855
Author(s):  
Pauline J. Ollitrault ◽  
Alberto Baiardi ◽  
Markus Reiher ◽  
Ivano Tavernelli
Keyword(s):  
Excited State ◽  
Quantum Algorithms ◽  
Vibrational Structure ◽  
Quantum Devices ◽  
Near Term ◽  
Structure Calculations ◽  
Vibrational Structure Calculations

We introduce a framework for the calculation of ground and excited state energies of bosonic systems suitable for near-term quantum devices and apply it to molecular vibrational anharmonic Hamiltonians.

scholarly journals Variational Quantum Computation of Excited States

Quantum ◽  
2019 ◽  
Vol 3 ◽  
pp. 156 ◽  
Author(s):  
Oscar Higgott ◽  
Daochen Wang ◽  
Stephen Brierley
Keyword(s):  
Excited State ◽  
Excited States ◽  
Quantum Algorithms ◽  
Reaction Rates ◽  
Mitigation Strategies ◽  
Quantum Computers ◽  
Error Mitigation ◽  
Near Term ◽  
Ground State Energies ◽  
High Depth

The calculation of excited state energies of electronic structure Hamiltonians has many important applications, such as the calculation of optical spectra and reaction rates. While low-depth quantum algorithms, such as the variational quantum eigenvalue solver (VQE), have been used to determine ground state energies, methods for calculating excited states currently involve the implementation of high-depth controlled-unitaries or a large number of additional samples. Here we show how overlap estimation can be used to deflate eigenstates once they are found, enabling the calculation of excited state energies and their degeneracies. We propose an implementation that requires the same number of qubits as VQE and at most twice the circuit depth. Our method is robust to control errors, is compatible with error-mitigation strategies and can be implemented on near-term quantum computers.

A weight averaged approach for predicting amide vibrational bands of a sphingomyelin bilayer

2015 ◽  
Vol 17 (43) ◽  
pp. 29113-29123 ◽  
Author(s):  
Kiyoshi Yagi ◽  
Pai-Chi Li ◽  
Koichiro Shirota ◽  
Toshihide Kobayashi ◽  
Yuji Sugita
Keyword(s):  
Molecular Dynamics ◽  
Vibrational Structure ◽  
New Method ◽  
Vibrational Bands ◽  
Structure Calculations ◽  
Vibrational Structure Calculations

A new method is proposed, which combines molecular dynamics and vibrational structure calculations, to calculate the spectra of a sphingomyelin bilayer.

scholarly journals Fisher Information in Noisy Intermediate-Scale Quantum Applications

Quantum ◽  
2021 ◽  
Vol 5 ◽  
pp. 539
Author(s):  
Johannes Jakob Meyer
Keyword(s):  
Fisher Information ◽  
Quantum Algorithms ◽  
Quantum Fisher Information ◽  
Quantum Systems ◽  
Quantum Circuits ◽  
Quantum Computers ◽  
Quantum Devices ◽  
Intermediate Scale ◽  
Quantum Sensing ◽  
Near Term

The recent advent of noisy intermediate-scale quantum devices, especially near-term quantum computers, has sparked extensive research efforts concerned with their possible applications. At the forefront of the considered approaches are variational methods that use parametrized quantum circuits. The classical and quantum Fisher information are firmly rooted in the field of quantum sensing and have proven to be versatile tools to study such parametrized quantum systems. Their utility in the study of other applications of noisy intermediate-scale quantum devices, however, has only been discovered recently. Hoping to stimulate more such applications, this article aims to further popularize classical and quantum Fisher information as useful tools for near-term applications beyond quantum sensing. We start with a tutorial that builds an intuitive understanding of classical and quantum Fisher information and outlines how both quantities can be calculated on near-term devices. We also elucidate their relationship and how they are influenced by noise processes. Next, we give an overview of the core results of the quantum sensing literature and proceed to a comprehensive review of recent applications in variational quantum algorithms and quantum machine learning.

scholarly journals Mitigation of readout noise in near-term quantum devices by classical post-processing based on detector tomography

Quantum ◽  
2020 ◽  
Vol 4 ◽  
pp. 257 ◽  
Author(s):  
Filip B. Maciejewski ◽  
Zoltán Zimborás ◽  
Michał Oszmaniec
Keyword(s):  
Quantum Algorithms ◽  
Probability Distributions ◽  
Post Processing ◽  
Measurement Device ◽  
Quantum Devices ◽  
Quantum Process ◽  
Error Mitigation ◽  
Process Tomography ◽  
State Tomography ◽  
Near Term

We propose a simple scheme to reduce readout errors in experiments on quantum systems with finite number of measurement outcomes. Our method relies on performing classical post-processing which is preceded by Quantum Detector Tomography, i.e., the reconstruction of a Positive-Operator Valued Measure (POVM) describing the given quantum measurement device. If the measurement device is affected only by an invertible classical noise, it is possible to correct the outcome statistics of future experiments performed on the same device. To support the practical applicability of this scheme for near-term quantum devices, we characterize measurements implemented in IBM's and Rigetti's quantum processors. We find that for these devices, based on superconducting transmon qubits, classical noise is indeed the dominant source of readout errors. Moreover, we analyze the influence of the presence of coherent errors and finite statistics on the performance of our error-mitigation procedure. Applying our scheme on the IBM's 5-qubit device, we observe a significant improvement of the results of a number of single- and two-qubit tasks including Quantum State Tomography (QST), Quantum Process Tomography (QPT), the implementation of non-projective measurements, and certain quantum algorithms (Grover's search and the Bernstein-Vazirani algorithm). Finally, we present results showing improvement for the implementation of certain probability distributions in the case of five qubits.

scholarly journals Variational Quantum Singular Value Decomposition

Quantum ◽  
2021 ◽  
Vol 5 ◽  
pp. 483
Author(s):  
Xin Wang ◽  
Zhixin Song ◽  
Youle Wang
Keyword(s):  
Singular Value Decomposition ◽  
Variational Principles ◽  
Quantum Algorithms ◽  
Singular Values ◽  
Singular Value ◽  
Quantum Devices ◽  
Singular Vectors ◽  
Fan Theorem ◽  
Near Term ◽  
Value Decomposition

Singular value decomposition is central to many problems in engineering and scientific fields. Several quantum algorithms have been proposed to determine the singular values and their associated singular vectors of a given matrix. Although these algorithms are promising, the required quantum subroutines and resources are too costly on near-term quantum devices. In this work, we propose a variational quantum algorithm for singular value decomposition (VQSVD). By exploiting the variational principles for singular values and the Ky Fan Theorem, we design a novel loss function such that two quantum neural networks (or parameterized quantum circuits) could be trained to learn the singular vectors and output the corresponding singular values. Furthermore, we conduct numerical simulations of VQSVD for random matrices as well as its applications in image compression of handwritten digits. Finally, we discuss the applications of our algorithm in recommendation systems and polar decomposition. Our work explores new avenues for quantum information processing beyond the conventional protocols that only works for Hermitian data, and reveals the capability of matrix decomposition on near-term quantum devices.

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