Ab initio molecular dynamics calculations of heat conductivity for silicon related materials

2017 ◽  
Vol 1 (8) ◽  
pp. 63-65
Author(s):  
Bohdan ANDRIYEVSKY
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Heat Conductivity ◽  
Ab Initio Molecular Dynamics ◽  
Molecular Dynamics Calculations

scholarly journals Ab initio molecular dynamics calculations of ion hydration free energies

2009 ◽  
Vol 130 (20) ◽  
pp. 204507 ◽  
Author(s):  
Kevin Leung ◽  
Susan B. Rempe ◽  
O. Anatole von Lilienfeld
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Ab Initio Molecular Dynamics ◽  
Free Energies ◽  
Ion Hydration ◽  
Molecular Dynamics Calculations
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