Molecular dynamics simulations for optical Kerr effect of TIP4P/2005 water in liquid and supercooled states

2018 ◽  
Vol 269 ◽  
pp. 38-46 ◽  
Author(s):  
Ping-Han Tang ◽  
Ten-Ming Wu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Kerr Effect ◽  
Optical Kerr Effect ◽  
Dynamics Simulations

Dynamics in the BMIM PF6/acetonitrile mixtures observed by femtosecond optical Kerr effect and molecular dynamics simulations

2020 ◽  
Vol 22 (42) ◽  
pp. 24544-24554
Author(s):  
Kamil Polok ◽  
Matthieu Beisert ◽  
Adam Świątek ◽  
Nishith Maity ◽  
Piotr Piatkowski ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Time Evolution ◽  
Kerr Effect ◽  
Optical Kerr Effect ◽  
Frequency Domains ◽  
Dynamics Simulations ◽  
Signal Time ◽  
Made In

We have measured the the optical Kerr effect signal time evolution up to 4 ns for mixtures of BMIM PF6 ionic liquid and acetonitrile. Analysis was made in the time and frequency domains with help of molecular dynamics simulations.

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