A molecular dynamics method for calculating the solubility of gases in liquids and the hydrophobic hydration of inert-gas atoms in aqueous solution

1984 ◽  
Vol 88 (26) ◽  
pp. 6548-6556 ◽  
Author(s):  
William C. Swope ◽  
Hans C. Andersen
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Hydrophobic Hydration ◽  
Molecular Dynamics Method ◽  
Inert Gas ◽  
Solubility Of Gases ◽  
Dynamics Method

Study on Interactive Multi-resolution Molecular Dynamics Method

2000 ◽  
Vol 20 (1Supplement) ◽  
pp. 43-46
Author(s):  
Ken-ichi SAITOH ◽  
Takashi DOI ◽  
Masao KOMAYA ◽  
Takehiko INABA
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Method ◽  
Dynamics Method

Modeling Nano-Metric Manufacturing Processes with Molecular Dynamics Method: A Review

2016 ◽  
Vol 13 (1) ◽  
pp. 3-20 ◽  
Author(s):  
Nikolaos E. Karkalos ◽  
Angelos P. Markopoulos
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Method ◽  
Manufacturing Processes ◽  
Dynamics Method

Structural evolution of aluminum hydride nanoparticles in water using ReaxFF molecular dynamics method

2020 ◽  
pp. 101804 ◽  
Author(s):  
Liang Song ◽  
Feng-Qi Zhao ◽  
Si-Yu Xu ◽  
Cai-Chao Ye ◽  
Xue-Hai Ju
Keyword(s):  
Molecular Dynamics ◽  
Aluminum Hydride ◽  
Structural Evolution ◽  
Molecular Dynamics Method ◽  
Dynamics Method

Computer simulation of a two-dimensional ideal gas: a simple molecular dynamics method for teaching purposes

1985 ◽  
Vol 6 (3) ◽  
pp. 148-153 ◽  
Author(s):  
M L Aiello-Nicosia ◽  
R M Sperandeo-Mineo
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Ideal Gas ◽  
Molecular Dynamics Method ◽  
Two Dimensional ◽  
Dynamics Method

Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins

2015 ◽  
Vol 119 (46) ◽  
pp. 14594-14603 ◽  
Author(s):  
Ole Juul Andersen ◽  
Julie Grouleff ◽  
Perri Needham ◽  
Ross C. Walker ◽  
Frank Jensen
Keyword(s):  
Molecular Dynamics ◽  
Conformational Changes ◽  
Molecular Dynamics Method ◽  
Enhanced Sampling ◽  
Dynamics Method

Composition effect on thermophobicity of ternary mixtures: An enhanced molecular dynamics method

2018 ◽  
Vol 149 (3) ◽  
pp. 034502
Author(s):  
Sylvie Antoun ◽  
M. Ziad Saghir ◽  
S. Srinivasan
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Method ◽  
Ternary Mixtures ◽  
Composition Effect ◽  
Dynamics Method
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