scholarly journals Stochastic, resonance-free multiple time-step algorithm for molecular dynamics with very large time steps

2013 ◽  
Vol 111 (22-23) ◽  
pp. 3579-3594 ◽  
Author(s):  
Ben Leimkuhler ◽  
Daniel T. Margul ◽  
Mark E. Tuckerman
Keyword(s):  
Molecular Dynamics ◽  
Stochastic Resonance ◽  
Large Time ◽  
Multiple Time ◽  
Time Step ◽  
Multiple Time Step ◽  
Step Algorithm

Multiple time-step methods in molecular dynamics

1978 ◽  
Vol 35 (3) ◽  
pp. 639-648 ◽  
Author(s):  
W.B. Streett ◽  
D.J. Tildesley ◽  
G. Saville
Keyword(s):  
Molecular Dynamics ◽  
Multiple Time ◽  
Time Step ◽  
Multiple Time Step

scholarly journals Multiple time step integrators in ab initio molecular dynamics

2014 ◽  
Vol 140 (8) ◽  
pp. 084116 ◽  
Author(s):  
Nathan Luehr ◽  
Thomas E. Markland ◽  
Todd J. Martínez
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Ab Initio Molecular Dynamics ◽  
Multiple Time ◽  
Time Step ◽  
Multiple Time Step
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