scholarly journals Finite-size effects of diffusion coefficients computed from molecular dynamics: a review of what we have learned so far

2020 ◽  
pp. 1-15 ◽  
Author(s):  
Alper T. Celebi ◽  
Seyed Hossein Jamali ◽  
André Bardow ◽  
Thijs J. H. Vlugt ◽  
Othonas A. Moultos
Keyword(s):  
Molecular Dynamics ◽  
Diffusion Coefficients ◽  
Size Effects ◽  
Finite Size ◽  
Finite Size Effects

scholarly journals Finite-Size Effects of Binary Mutual Diffusion Coefficients from Molecular Dynamics

2018 ◽  
Vol 14 (5) ◽  
pp. 2667-2677 ◽  
Author(s):  
Seyed Hossein Jamali ◽  
Ludger Wolff ◽  
Tim M. Becker ◽  
André Bardow ◽  
Thijs J. H. Vlugt ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Diffusion Coefficients ◽  
Size Effects ◽  
Finite Size ◽  
Mutual Diffusion ◽  
Finite Size Effects

scholarly journals Shear Viscosity Computed from the Finite-Size Effects of Self-Diffusivity in Equilibrium Molecular Dynamics

2018 ◽  
Vol 14 (11) ◽  
pp. 5959-5968 ◽  
Author(s):  
Seyed Hossein Jamali ◽  
Remco Hartkamp ◽  
Christos Bardas ◽  
Jakob Söhl ◽  
Thijs J. H. Vlugt ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Shear Viscosity ◽  
Size Effects ◽  
Finite Size ◽  
Finite Size Effects

Simulation of fluid/gel phase equilibrium in lipid vesicles

Soft Matter ◽  
2019 ◽  
Vol 15 (40) ◽  
pp. 8102-8112 ◽  
Author(s):  
David Stelter ◽  
Tom Keyes
Keyword(s):  
Molecular Dynamics ◽  
Phase Equilibrium ◽  
Size Effects ◽  
Finite Size ◽  
Lipid Vesicles ◽  
Finite Size Effects ◽  
Gel Phase ◽  
20 Nm

Simulation of DPPC lipid vesicles of diameter 10 nm (1350 lipids), 20 nm (5100 lipids) and 40 nm (17 600 lipids) is performed using statistical temperature molecular dynamics (STMD), to study finite size effects upon the gel/fluid transition.

scholarly journals Molecular Dynamics Study of Rotating Nanodroplets: Finite-size Effects and Nonequilibrium Deformation

2011 ◽  
Vol 297 ◽  
pp. 012023
Author(s):  
Hiroshi Watanabe ◽  
Naoki Mitsuda ◽  
Tomoaki Nogawa ◽  
Nobuyasu Ito
Keyword(s):  
Molecular Dynamics ◽  
Size Effects ◽  
Finite Size ◽  
Finite Size Effects
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