Ab initio molecular dynamics simulation of the H/InP(100)–water interface

2002 ◽  
Vol 117 (2) ◽  
pp. 872-884 ◽  
Author(s):  
Narayanan Gayathri ◽  
Sergei Izvekov ◽  
Gregory A. Voth
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics ◽  
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

scholarly journals Ab initio molecular dynamics simulation of hydrogen fluoride at several thermodynamic states

2003 ◽  
Vol 118 (8) ◽  
pp. 3639-3645 ◽  
Author(s):  
Markus Kreitmeir ◽  
Helmut Bertagnolli ◽  
Jens Jørgen Mortensen ◽  
Michele Parrinello
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Hydrogen Fluoride ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics
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