Accelerated visualization of transparent molecular surfaces in molecular dynamics

2016 ◽  
Author(s):  
Adam Jurcik ◽  
Julius Parulek ◽  
Jiri Sochor ◽  
Barbora Kozlikova
Keyword(s):  
Molecular Dynamics ◽  
Molecular Surfaces

Nonequilibrium Molecular Dynamics

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

Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

2000 ◽  
Vol 98 (11) ◽  
pp. 701-707
Author(s):  
Alessandro Sergi, Mauro Ferrario, Francesco Bu
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Ab Initio Molecular Dynamics ◽  
Dynamics Simulations

A molecular dynamics study of depolarized interaction induced light scattering in room temperature argon

1997 ◽  
Vol 92 (1) ◽  
pp. 127-134 ◽  
Author(s):  
VICTOR TEBOUL
Keyword(s):  
Molecular Dynamics ◽  
Light Scattering ◽  
Room Temperature

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

ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

1998 ◽  
Vol 95 (1) ◽  
pp. 121-121
Author(s):  
CARL MCBRIDE MARK R. WILSON JUDITH A. K.
Keyword(s):  
Molecular Dynamics ◽  
Liquid Crystal ◽  
Molecular Dynamics Simulations ◽  
Crystal Phases ◽  
Dynamics Simulations ◽  
Liquid Crystal Phases

Rotational dynamics and velocity segregation in plastic KCIO4: a molecular dynamics simulation

1998 ◽  
Vol 93 (5) ◽  
pp. 703-711
Author(s):  
F. AFFOUARD ◽  
PH. DEPONDT
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Rotational Dynamics ◽  
Dynamics Simulation

Molecular dynamics simulation of the dynamics of supercooled silica

1998 ◽  
Vol 77 (2) ◽  
pp. 297-303 ◽  
Author(s):  
J. Horbach, W. Kob, K. Binder
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation
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