Energy relaxation path of excited free OH vibration at an air/water interface revealed by nonequilibrium ab initio molecular dynamics simulation

2021 ◽  
Vol 154 (10) ◽  
pp. 104708
Author(s):  
Tatsuya Ishiyama
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Energy Relaxation ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics ◽  
Water Interface ◽  
Air Water Interface

Ab initio molecular dynamics simulation of the Cu(110)–water interface

2001 ◽  
Vol 114 (7) ◽  
pp. 3248-3257 ◽  
Author(s):  
Sergei Izvekov ◽  
Alain Mazzolo ◽  
Kirk VanOpdorp ◽  
Gregory A. Voth
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics ◽  
Water Interface
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