A Comparative Study for Molecular Dynamics Simulations of Liquid Benzene

2011 ◽  
Vol 7 (7) ◽  
pp. 2240-2252 ◽  
Author(s):  
Cen-Feng Fu ◽  
Shan Xi Tian
Keyword(s):  
Molecular Dynamics ◽  
Comparative Study ◽  
Molecular Dynamics Simulations ◽  
Liquid Benzene ◽  
Dynamics Simulations

Thermal conductivity of two-dimensional BC3: a comparative study with two-dimensional C3N

2019 ◽  
Vol 21 (24) ◽  
pp. 12977-12985 ◽  
Author(s):  
Jieren Song ◽  
Zhonghai Xu ◽  
Xiaodong He ◽  
Yujiao Bai ◽  
Linlin Miao ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Comparative Study ◽  
Molecular Dynamics Simulations ◽  
Environmental Temperature ◽  
Single Layer ◽  
Two Dimensional ◽  
Vacancy Defects ◽  
Dynamics Simulations ◽  
External Strain

The thermal conductivities of single-layer BC3 (SLBC) sheets and their responses to environmental temperature, vacancy defects and external strain have been studied and compared with those of single-layer C3N (SLCN) sheets by molecular dynamics simulations.

scholarly journals HT-SuMD: making molecular dynamics simulations suitable for fragment-based screening. A comparative study with NMR

2020 ◽  
Vol 36 (1) ◽  
pp. 1-14
Author(s):  
Francesca Ferrari ◽  
Maicol Bissaro ◽  
Simone Fabbian ◽  
Jessica De Almeida Roger ◽  
Stefano Mammi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Comparative Study ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations
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