Help with nanoparticle and computation

  • #1
I have access to a nanoparticle that no one has done a computational study on. I want to know specifically what kind of computational studies i can do on it. e.g Ab initio calculations and m.d. simulations. I want to know what properties could be computed and how to go about it.
 

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  • #2
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Thanks for the thread! This is an automated courtesy bump. Sorry you aren't generating responses at the moment. Do you have any further information, come to any new conclusions or is it possible to reword the post? The more details the better.
 
  • #3
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What size "nanoparticle"?
 

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