Multiscale modeling of physical properties of nanoporous frameworks: predicting mechanical, thermal, and adsorption behavior

HIGHLIGHTS

• What: In this Account the authors focus on some recent developments in the multi-scale modeling of physical properties of nanoporous frameworks highlighting __NEWPAGE__the latest advances in three specific areas: mechanical properties properties and It is important to note that, compared to the number of computational studies focusing on mechanical properties, thermal behavior is still a much more open question. This approach is very promising for the study of other thermal properties, focusing on a data set that is limited in size, but has good diversity and high accuracy.
• Who: Thermal and colleagues from the . . .
  

   

  

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