scholarly journals Pushing the Limits of Multiple-Time-Step Strategies for Polarizable Point Dipole Molecular Dynamics

2019 ◽  
Vol 10 (10) ◽  
pp. 2593-2599 ◽  
Author(s):  
Louis Lagardère ◽  
Félix Aviat ◽  
Jean-Philip Piquemal
Keyword(s):  
Molecular Dynamics ◽  
Multiple Time ◽  
Point Dipole ◽  
Time Step ◽  
Multiple Time Step

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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