scholarly journals Phase equilibrium of liquid water and hexagonal ice from enhanced sampling molecular dynamics simulations

2020 ◽  
Vol 152 (20) ◽  
pp. 204116 ◽  
Author(s):  
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Roberto Car
Keyword(s):  
Molecular Dynamics ◽  
Phase Equilibrium ◽  
Molecular Dynamics Simulations ◽  
Liquid Water ◽  
Enhanced Sampling ◽  
Hexagonal Ice ◽  
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Viscosity of Liquid Water via Equilibrium Molecular Dynamics Simulations

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

scholarly journals Using Long-Timescale Molecular Dynamics Simulations to Benchmark Enhanced Sampling Methods

2015 ◽  
Vol 108 (2) ◽  
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Thomas M. Weinreich ◽  
Stefano Piana ◽  
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Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Sampling Methods ◽  
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Dynamics Simulations
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