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The DFT calculation for Amorphous Silica is not able to process showing an error I am not able to understand.
Q&A|Closed | Responses: 1
Whenever I am trying to perform DFT calculation of any molecule there comes the type of error which is not understandable. The recent one being for amorphous Silica stating " from pp_check_file :...
https://nanohub.org/answers/question/2483
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Issue in building large polymer system
Q&A|Closed | Responses: 2
Is it normal to see: "submitting polymer model to remote site ..." for more than 3 hrs for a large number of chains and monomers (100 chains and 1000 monomer). The simulation is still...
https://nanohub.org/answers/question/2392
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In the context of molecular dynamics, when does classical mechanics breakdown?
Q&A|Closed | Responses: 0
In the context of molecular dynamics, when does classical mechanics breakdown?
I viewed a lecture and wrote down some of the main points that the professor discussed. One of them was the...
https://nanohub.org/answers/question/726
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Cap interaction between 2 nanotubes facing each other
Q&A|Closed | Responses: 1
Is it possible to use nanomaterials simulation tool kit to compute the potential energy minima between the two capped nanotube facing each other?
https://nanohub.org/answers/question/724
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how to compute the potential relief of DWNT
Q&A|Closed | Responses: 0
which tool is to be used if i want to compute the potential relief of an double wall nanotube? whats the difference between molecular dynamics simulation and ab initio calculation.
https://nanohub.org/answers/question/671