Interaction potentials for alumina and molecular dynamics simulations of amorphous and liquid alumina

2008 ◽  
Vol 103 (8) ◽  
pp. 083504 ◽  
Author(s):  
Priya Vashishta ◽  
Rajiv K. Kalia ◽  
Aiichiro Nakano ◽  
José Pedro Rino
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Interaction Potentials ◽  
Dynamics Simulations ◽  
Liquid Alumina

Classical molecular interaction potentials: Improved setup procedure in molecular dynamics simulations of proteins

2001 ◽  
Vol 45 (4) ◽  
pp. 428-437 ◽  
Author(s):  
Josep Lluis Gelpí ◽  
Susana G. Kalko ◽  
Xavier Barril ◽  
Jordi Cirera ◽  
Xavier de la Cruz ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Molecular Interaction ◽  
Interaction Potentials ◽  
Dynamics Simulations
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