An adaptive variational algorithm for exact molecular simulations on a quantum computer

Quantum algorithms for simulating chemical systems are limited because of the a priori assumption about the form of the target wavefunction. Here the authors present a new variational hybrid quantum-classical algorithm which allows the system being simulated to determine its own optimal state.

Bibliographic Details
Main Authors: Harper R. Grimsley, Sophia E. Economou, Edwin Barnes, Nicholas J. Mayhall
Format: Article
Language:English
Published: Nature Publishing Group 2019-07-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-019-10988-2
Description
Summary:Quantum algorithms for simulating chemical systems are limited because of the a priori assumption about the form of the target wavefunction. Here the authors present a new variational hybrid quantum-classical algorithm which allows the system being simulated to determine its own optimal state.
ISSN:2041-1723