Molecular dynamics on quantum annealers

Abstract In this work we demonstrate a practical prospect of using quantum annealers for simulation of molecular dynamics. A methodology developed for this goal, dubbed Quantum Differential Equations (QDE), is applied to propagate classical trajectories for the vibration of the hydrogen molecule in...

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Bibliographic Details
Main Authors: Igor Gaidai, Dmitri Babikov, Alexander Teplukhin, Brian K. Kendrick, Susan M. Mniszewski, Yu Zhang, Sergei Tretiak, Pavel A. Dub
Format: Article
Language:English
Published: Nature Portfolio 2022-10-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-022-21163-x