Machine-Learning-Driven Molecular Dynamics Unravels Stereoelectronic Switching in Statistical Ensembles of Single-Molecule Junctions

Y Yangyu Dong (Key Laboratory for the Physics and Chemistry of Nanodevices, School of Electronics) H Haoyang Pan (Key Laboratory for the Physics and Chemistry of Nanodevices, School of Electronics) X Xiuze Yu (Key Laboratory for the Physics and Chemistry of Nanodevices, School of Electronics) J Jie Li P Peiqi Yang (Key Laboratory for the Physics and Chemistry of Nanodevices, School of Electronics) Y Yudi Wang (Key Laboratory for the Physics and Chemistry of Nanodevices, School of Electronics) Y Yongfeng Wang (Key Laboratory for the Physics and Chemistry of Nanodevices, School of Electronics) S Shimin Hou (Key Laboratory for the Physics and Chemistry of Nanodevices, School of Electronics)

Article Details

Volume / Issue Vol. 148, Issue 20
Published May 27, 2026
Pages 20997-21008
ISSN 0002-7863
Publisher American Chemical Society

Journal Info

Journal of the American Chemical Society

American Chemical Society

ISSN: 0002-7863 Physical Sciences

Authors (8)

Y

Yangyu Dong

Key Laboratory for the Physics and Chemistry of Nanodevices, School of Electronics

H

Haoyang Pan

Key Laboratory for the Physics and Chemistry of Nanodevices, School of Electronics

X

Xiuze Yu

Key Laboratory for the Physics and Chemistry of Nanodevices, School of Electronics

J

Jie Li

P

Peiqi Yang

Key Laboratory for the Physics and Chemistry of Nanodevices, School of Electronics

Y

Yudi Wang

Key Laboratory for the Physics and Chemistry of Nanodevices, School of Electronics

Y

Yongfeng Wang

Key Laboratory for the Physics and Chemistry of Nanodevices, School of Electronics

S

Shimin Hou

Key Laboratory for the Physics and Chemistry of Nanodevices, School of Electronics