Sushanta Sethi

7 Questions 15 Answers 0 Followers

Questions related from Sushanta Sethi

Why VMD not able to read a dump file of more than 4 GB in Windows?

Every time I start loading a lammps dump file of more than 4GB in windows, VMD crashes. Are there any certain modifications I need to make?

15 May 2022 8,880 4 View

How to delete all hydrogen atoms using VMD or Ovito?

Is there any way to remove all the hydrogen atoms present in a pdb file using VMD or ovito.

08 September 2021 4,055 4 View

What are the 2d graphene alternative materials used for supercapacitor applications?

I am looking for an alternate 2d hydrocarbon material that can be used alongside CNT as a hybrid material to design a membrane or supercapacitor.

26 July 2021 2,992 4 View

How to construct different filler shape in MD simulations?

Is there any way to construct different initial filler shapes like triangle, square, rectangle, pillar, and tube in any simulation software.

21 February 2021 1,961 1 View

Relation between bond energy per atoms with the number of bonds?

In experimental, the bond energy per atom rises quadratically with the number of bonds then why in simulations this bond energy per atom rises linearly with the number of bonds per atoms?

22 September 2020 5,941 3 View

Calculation of surface energy components from MD simulation?

Is it possible to estimate the polar and dispersive surface energy components from MD simulation?

16 June 2020 7,342 1 View

Please suggest any possible industrial applications of isotactic poly vinyl acetate and poly vinyl alcohol?

Though atactic polymers of PVAc and PVA are more versatile than isotactic polymers, but is there any end applications of such polymers ?

23 July 2018 3,690 4 View