scholarly journals Multiple Time-Step Dual-Hamiltonian Hybrid Molecular Dynamics – Monte Carlo Canonical Propagation Algorithm

2016 ◽  
Vol 12 (4) ◽  
pp. 1449-1458 ◽  
Author(s):  
Yunjie Chen ◽  
Seyit Kale ◽  
Jonathan Weare ◽  
Aaron R. Dinner ◽  
Benoît Roux
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Multiple Time ◽  
Time Step ◽  
Propagation Algorithm ◽  
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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