Nanoscale chemical reaction exploration with a quantum magnifying glass

Abstract Nanoscopic systems exhibit diverse molecular substructures by which they facilitate specific functions. Theoretical models of them, which aim at describing, understanding, and predicting these capabilities, are difficult to build. Viable quantum-classical hybrid models come with specific ch...

Full description

Bibliographic Details
Main Authors: Katja-Sophia Csizi, Miguel Steiner, Markus Reiher
Format: Article
Language:English
Published: Nature Portfolio 2024-06-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-024-49594-2