A Provenance-Based Approach to Resource Discovery in Distributed Molecular Dynamics Workflows

2010 ◽  
pp. 66-80
Author(s):  
Sérgio Manuel Serra da Cruz ◽  
Patricia M. Barros ◽  
Paulo M. Bisch ◽  
Maria Luiza M. Campos ◽  
Marta Mattoso
Keyword(s):  
Molecular Dynamics ◽  
Resource Discovery

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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