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

scholarly journals Molecular Dynamics Simulation of Silicon Dioxide Etching by Hydrogen Fluoride Using the Reactive Force Field

ACS Omega ◽  
2021 ◽  
Author(s):  
Dong Hyun Kim ◽  
Seung Jae Kwak ◽  
Jae Hun Jeong ◽  
Suyoung Yoo ◽  
Sang Ki Nam ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Silicon Dioxide ◽  
Force Field ◽  
Hydrogen Fluoride ◽  
Dynamics Simulation ◽  
Reactive Force ◽  
Reactive Force Field

Molecular Dynamics Simulation of Membrane Free Energy Profiles Using Accurate Force Field for Ionic Liquids

2017 ◽  
pp. 265-284
Author(s):  
Thorsten Köddermann ◽  
Martin R. Schenk ◽  
Marco Hülsmann ◽  
Andreas Krämer ◽  
Karl N. Kirschner ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Force Field ◽  
Dynamics Simulation ◽  
Energy Profiles ◽  
Free Energy Profiles

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

New all-atom force field for molecular dynamics simulation of an AlPO4-34 molecular sieve

2007 ◽  
Vol 29 (1) ◽  
pp. 122-129 ◽  
Author(s):  
Matej Praprotnik ◽  
Stanko Hočevar ◽  
Milan Hodošček ◽  
Matej Penca ◽  
Dušanka Janežič
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Force Field ◽  
Molecular Sieve ◽  
Dynamics Simulation
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