Comparison of molecular dynamics simulation methods of methane shockwave compression

The inhibition of mild steel corrosion in 1 M HCl by four 5-arylpyrimido-[4,5-b]-quinoline-diones has been investigated using weight loss, electrochemical, surface, and quantum chemical calculations and molecular dynamics simulation methods.

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Comparison of molecular dynamics simulation methods for the study of grain boundary migration

Modelling and Simulation in Materials Science and Engineering ◽

10.1088/0965-0393/21/4/045017 ◽

2013 ◽

Vol 21 (4) ◽

pp. 045017 ◽

Cited By ~ 38

Author(s):

M I Mendelev ◽

C Deng ◽

C A Schuh ◽

D J Srolovitz

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Grain Boundary ◽

Boundary Migration ◽

Dynamics Simulation ◽

Grain Boundary Migration ◽

Simulation Methods

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A comparative study of molecular dynamics simulation methods for evaluation of the thermal conductivity and phonon transport in Si nanowires

Computational Materials Science ◽

10.1016/j.commatsci.2017.10.024 ◽

2018 ◽

Vol 142 ◽

pp. 346-354 ◽

Cited By ~ 7

Author(s):

Alireza Soleimani ◽

Houshang Araghi ◽

Zabiholah Zabihi ◽

Amin Alibakhshi

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Comparative Study ◽

Phonon Transport ◽

Dynamics Simulation ◽

Simulation Methods ◽

Si Nanowires

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Prediction of new chromene-based inhibitors of tubulin using structure-based virtual screening and molecular dynamics simulation methods

Computational Biology and Chemistry ◽

10.1016/j.compbiolchem.2017.09.007 ◽

2017 ◽

Vol 71 ◽

pp. 89-97 ◽

Cited By ~ 5

Author(s):

Hassan Aryapour ◽

Maryam Dehdab ◽

Farzin Sohraby ◽

Afshar Bargahi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Virtual Screening ◽

Dynamics Simulation ◽

Simulation Methods

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Comparison of molecular dynamics simulation methods for amyloid β1–42 monomers containing d-aspartic acid residues for predicting retention times in chromatography

Journal of Chromatography B ◽

10.1016/j.jchromb.2011.08.011 ◽

2011 ◽

Vol 879 (29) ◽

pp. 3337-3343 ◽

Cited By ~ 16

Author(s):

Akifumi Oda ◽

Kana Kobayashi ◽

Ohgi Takahashi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Aspartic Acid ◽

Dynamics Simulation ◽

Simulation Methods

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Molecular Dynamics Simulation: Methods and Application

Frontiers in Protein Structure, Function, and Dynamics ◽

10.1007/978-981-15-5530-5_9 ◽

2020 ◽

pp. 213-238

Author(s):

Sakshi Singh ◽

Vinay Kumar Singh

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Simulation Methods

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Effect of grain boundary deformation on mechanical properties in nanocrystalline Cu film investigated by using phase field and molecular dynamics simulation methods

Journal of Applied Physics ◽

10.1063/1.5136326 ◽

2020 ◽

Vol 127 (12) ◽

pp. 125303 ◽

Cited By ~ 4

Author(s):

Meng Zhang ◽

Juan Chen ◽

Ting Xu ◽

Meie Li ◽

Kun Sun ◽

...

Keyword(s):

Mechanical Properties ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Grain Boundary ◽

Phase Field ◽

Dynamics Simulation ◽

Simulation Methods ◽

Cu Film ◽

Boundary Deformation

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Exploring Structure and Energetics of a Helix-Forming Oligomer by Molecular Modeling and Molecular Dynamics Simulation Methods: Dynamics of Water in a Hydrophobic Nanotube

The Journal of Physical Chemistry B ◽

10.1021/jp014730k ◽

2002 ◽

Vol 106 (43) ◽

pp. 11343-11350 ◽

Cited By ~ 5

Author(s):

Srikanta Sen

Keyword(s):

Molecular Dynamics ◽

Molecular Modeling ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Simulation Methods

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