[CP2K-user] Simulation of Molten salts in CP2K

Indira manor... at gmail.com
Mon Jan 20 16:03:34 UTC 2020


Hi EVeryone,
I am about to start a project to simulate molten salt complexes to compute 
thermal and transport properties.  I am new to cp2k and expecting to learn 
soon. I am wondering if there is a similar study or tutorial that I can 
follow to set up my simulation that would be great. What type of theory and 
simulation method is good for this type of simulation is my next question. 
It would be great if someone can help me on this. 
Thanks
Indira
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