Long-Lived Hot Electron in a Metallic Particle for Plasmonics and Catalysis: Ab Initio Nonadiabatic Molecular Dynamics with Machine Learning

ACS Nano ◽  
2020 ◽  
Vol 14 (8) ◽  
pp. 10608-10615 ◽  
Author(s):  
Weibin Chu ◽  
Wissam A. Saidi ◽  
Oleg V. Prezhdo
Keyword(s):  
Machine Learning ◽  
Molecular Dynamics ◽  
Ab Initio ◽  
Metallic Particle ◽  
Hot Electron ◽  
Nonadiabatic Molecular Dynamics

Electron–Phonon Relaxation at Au/Ti Interfaces Is Robust to Alloying: Ab Initio Nonadiabatic Molecular Dynamics

2019 ◽  
Vol 123 (37) ◽  
pp. 22842-22850 ◽  
Author(s):  
Yi-Siang Wang ◽  
Xin Zhou ◽  
John A. Tomko ◽  
Ashutosh Giri ◽  
Patrick E. Hopkins ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Nonadiabatic Molecular Dynamics
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