Molecular dynamics simulation for the test of calibrated OPLS-AA force field for binary liquid mixture of tri-iso-amyl phosphate and n-dodecane

2018 ◽  
Vol 148 (7) ◽  
pp. 074502 ◽  
Author(s):  
Arya Das ◽  
Sk. Musharaf Ali
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Force Field ◽  
Liquid Mixture ◽  
Binary Liquid Mixture ◽  
Dynamics Simulation ◽  
Binary Liquid

Atomistic molecular dynamics simulation of diffusion in binary liquid n-alkane mixtures

2002 ◽  
Vol 116 (17) ◽  
pp. 7656-7665 ◽  
Author(s):  
V. A. Harmandaris ◽  
D. Angelopoulou ◽  
V. G. Mavrantzas ◽  
D. N. Theodorou
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Binary Liquid

Molecular Dynamics Simulation of Tri-n-butyl-Phosphate Liquid: A Force Field Comparative Study

2011 ◽  
Vol 116 (1) ◽  
pp. 305-313 ◽  
Author(s):  
Shengting Cui ◽  
Valmor F. de Almeida ◽  
Benjamin P. Hay ◽  
Xianggui Ye ◽  
Bamin Khomami
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Comparative Study ◽  
Force Field ◽  
Dynamics Simulation

GAFFlipid: a General Amber Force Field for the accurate molecular dynamics simulation of phospholipid

Soft Matter ◽  
2012 ◽  
Vol 8 (37) ◽  
pp. 9617 ◽  
Author(s):  
Callum J. Dickson ◽  
Lula Rosso ◽  
Robin M. Betz ◽  
Ross C. Walker ◽  
Ian R. Gould
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Force Field ◽  
Dynamics Simulation ◽  
Amber Force Field
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