Elastic Bag Model for Molecular Dynamics Simulations of Solvated Systems:  Application to Liquid Water and Solvated Peptides

2006 ◽  
Vol 110 (26) ◽  
pp. 13256-13263 ◽  
Author(s):  
Yuhui Li ◽  
Goran Krilov ◽  
B. J. Berne
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Liquid Water ◽  
Bag Model ◽  
Dynamics Simulations

Viscosity of Liquid Water via Equilibrium Molecular Dynamics Simulations

2008 ◽  
pp. 351-361 ◽  
Author(s):  
Gerardo Delgado-Barrio ◽  
Rita Prosmiti ◽  
Pablo Villarreal ◽  
Gabriel Winter ◽  
Juan S. Medina ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Liquid Water ◽  
Dynamics Simulations

Time-Dependent Density Functional Theory Molecular Dynamics Simulations of Liquid Water Radiolysis

ChemPhysChem ◽  
2008 ◽  
Vol 9 (14) ◽  
pp. 2099-2103 ◽  
Author(s):  
Ivano Tavernelli ◽  
Marie-Pierre Gaigeot ◽  
Rodolphe Vuilleumier ◽  
Carlos Stia ◽  
Marie-Anne Hervé du Penhoat ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Density Functional Theory ◽  
Molecular Dynamics Simulations ◽  
Liquid Water ◽  
Density Functional ◽  
Time Dependent ◽  
Water Radiolysis ◽  
Functional Theory ◽  
Dynamics Simulations ◽  
Dependent Density
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