Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics

2014 ◽  
Author(s):  
Stavros C. Farantos
Keyword(s):  
Molecular Dynamics ◽  
Hamiltonian Mechanics

Lennard-Jones triple-point bulk and shear viscosities. Green-Kubo theory, Hamiltonian mechanics, and nonequilibrium molecular dynamics

1980 ◽  
Vol 22 (4) ◽  
pp. 1690-1697 ◽  
Author(s):  
William G. Hoover ◽  
Denis J. Evans ◽  
Richard B. Hickman ◽  
Anthony J. C. Ladd ◽  
William T. Ashurst ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Triple Point ◽  
Nonequilibrium Molecular Dynamics ◽  
Hamiltonian Mechanics ◽  
Lennard Jones

Nonequilibrium Molecular Dynamics

2017 ◽  
Author(s):  
Billy D. Todd ◽  
Peter J. Daivis
Keyword(s):  
Molecular Dynamics ◽  
Nonequilibrium Molecular Dynamics

Molecular dynamics of cyclohexane guest molecules in the cyclohexane/thiourea inclusion compound: an incoherent quasielastic neutron scattering investigation

1998 ◽  
Vol 93 (4) ◽  
pp. 545-554 ◽  
Author(s):  
MATTHEW JONES ◽  
FRANCOIS GUILLAUME ◽  
KENNETH HARRIS ◽  
ABIL ALIEV ◽  
PASCALE GIRARD ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Neutron Scattering ◽  
Inclusion Compound ◽  
Guest Molecules ◽  
Quasielastic Neutron ◽  
Quasielastic Neutron Scattering
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