Molecular dynamics simulations of aqueous ions at the liquid-vapor interface accelerated using graphics processors

2010 ◽  
Vol 32 (3) ◽  
pp. 375-385 ◽  
Author(s):  
Brad A. Bauer ◽  
Joseph E. Davis ◽  
Michela Taufer ◽  
Sandeep Patel
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Graphics Processors ◽  
Vapor Interface ◽  
Aqueous Ions ◽  
Dynamics Simulations ◽  
Liquid Vapor

Monte Carlo versus molecular dynamics simulations in heterogeneous systems: An application to the n-pentane liquid-vapor interface

2004 ◽  
Vol 121 (24) ◽  
pp. 12559 ◽  
Author(s):  
Florent Goujon ◽  
Patrice Malfreyt ◽  
Jean-Marc Simon ◽  
Anne Boutin ◽  
Bernard Rousseau ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Molecular Dynamics Simulations ◽  
Heterogeneous Systems ◽  
Vapor Interface ◽  
Dynamics Simulations ◽  
Liquid Vapor

Molecular Dynamics Simulations of the Liquid/Vapor Interface of SPC/E Water

1996 ◽  
Vol 100 (28) ◽  
pp. 11720-11725 ◽  
Author(s):  
Ramona S. Taylor ◽  
Liem X. Dang ◽  
Bruce C. Garrett
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Vapor Interface ◽  
Dynamics Simulations ◽  
Liquid Vapor
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