Mohammadreza Ghazvini

2 Questions 2 Answers 0 Followers

Questions related from Mohammadreza Ghazvini

Hello, I'm simulating a MOF (a type of adsorbent) in materials studio via Molecular Dynamics. But It fails when minimizing the geometry, why?

However whenever I try to minimize the geometry with forcite module, either it fails or disorder the adsorbent structure after the optimization. What is the problem? Is there an issue with the...

26 November 2018 6,535 4 View

Can anyone guide me to how build a MOF(metal-organic frameworks) structure in material studio? Can we use cif code? Or other approaches?

I'm simulating physisorption on MOFs.

23 November 2018 5,288 6 View