Anindya Mitra

2 Questions 4 Answers 0 Followers

Questions related from Anindya Mitra

Could someone help me interpret the following PMF curve, especially the physical reason behind the multiple potential wells?

I am simulating the pulling of two nanoparticles in a polymer. I get the attached PMF curve, showing a secondary (and much deeper) potential well. I was wondering if there is a physical...

20 September 2020 7,630 5 View

Is it possible to calculate vdW forces using higher order technique (such as RPA) while using VASP? Are there any online examples for the same?

I am trying to calculate interactive force between two metal atoms and was wondering if there's any way VASP may be used to calculate vdW forces using higher order techniques such as RPA.

23 May 2017 8,457 3 View