Constant temperature molecular dynamics simulations by means of a stochastic collision model. I. Noninteracting particles

1994 ◽  
Vol 100 (1) ◽  
pp. 566-576 ◽  
Author(s):  
Stefan Michael Kast ◽  
Kai Nicklas ◽  
Hans‐Jürgen Bär ◽  
Jürgen Brickmann
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Constant Temperature ◽  
Collision Model ◽  
Dynamics Simulations

Accurate and efficient integration for molecular dynamics simulations at constant temperature and pressure

2013 ◽  
Vol 139 (16) ◽  
pp. 164106 ◽  
Author(s):  
Ross A. Lippert ◽  
Cristian Predescu ◽  
Douglas J. Ierardi ◽  
Kenneth M. Mackenzie ◽  
Michael P. Eastwood ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Constant Temperature ◽  
Efficient Integration ◽  
Temperature And Pressure ◽  
Dynamics Simulations
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