scholarly journals A comparative study of force fields for predicting shape memory properties of liquid crystalline elastomers using molecular dynamic simulations

2021 ◽  
Vol 129 (15) ◽  
pp. 155101
Author(s):  
P. Prathumrat ◽  
I. Sbarski ◽  
E. Hajizadeh ◽  
M. Nikzad
Keyword(s):  
Comparative Study ◽  
Shape Memory ◽  
Molecular Dynamic ◽  
Liquid Crystalline ◽  
Force Fields ◽  
Molecular Dynamic Simulations ◽  
Dynamic Simulations ◽  
Shape Memory Properties

scholarly journals Evaluating the strengths of salt bridges in the CutA1 protein using molecular dynamic simulations: a comparison of different force fields

FEBS Open Bio ◽  
2019 ◽  
Vol 9 (11) ◽  
pp. 1939-1956 ◽  
Author(s):  
Yoshinori Matsuura ◽  
Yasumasa Joti ◽  
Bagautdin Bagautdinov ◽  
Katsuhide Yutani
Keyword(s):  
Molecular Dynamic ◽  
Force Fields ◽  
Molecular Dynamic Simulations ◽  
Salt Bridges ◽  
Dynamic Simulations

scholarly journals Comparative study of melting points of 3,4-bis(3-nitrofurazan-4-yl)furoxan (DNTF)/1,3,3-trinitroazetidine (TNAZ) eutectic compositions using molecular dynamic simulations

RSC Advances ◽  
2016 ◽  
Vol 6 (64) ◽  
pp. 59141-59149 ◽  
Author(s):  
Ning Liu ◽  
Svatopluk Zeman ◽  
Yuan-jie Shu ◽  
Zong-kai Wu ◽  
Bo-zhou Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Comparative Study ◽  
Molecular Dynamic ◽  
Dynamics Simulation ◽  
Molecular Dynamic Simulations ◽  
Melting Points ◽  
Dynamic Simulations

The melting points of 3,4-bis(3-nitrofurazan-4-yl)furoxan/1,3,3-trinitroazetidine eutectic compositions are precisely predicted by molecular dynamics simulation with different methods.

scholarly journals Ranking the Efficiency of Gas Hydrate Anti-agglomerants through Molecular Dynamic Simulations

2021 ◽  
Vol 125 (5) ◽  
pp. 1487-1502
Author(s):  
Stephan Mohr ◽  
Felix Hoevelmann ◽  
Jonathan Wylde ◽  
Natascha Schelero ◽  
Juan Sarria ◽  
...  
Keyword(s):  
Molecular Dynamic ◽  
Gas Hydrate ◽  
Molecular Dynamic Simulations ◽  
Dynamic Simulations
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