Kaushik Rajendra Kunte

5 Questions 1 Answers 0 Followers

Questions related from Kaushik Rajendra Kunte

Energy density calculation from Simulations?

I have calculated specific capacitance of the supercapacitor system but how can I calculate the energy density if I have data for capacitance at each provided voltage

11 May 2024 5,359 0 View

Imidazolium based ionic liquids coarse grained model ?

I am trying to simulate imidazolium based ionic liquids on lammps I got coarse grain models for c2mim and bmim but for longer alkyl chain imidazolium cation I am not able to find coarse grained...

07 April 2024 4,392 0 View

OPLS AA force field angle coefficients?

I wanted to simulate ionic liquids using OPLS all atom force field unable to find the angle coefficients for the cations . can someone help me out?

30 December 2023 2,357 2 View

Integral capacitance to energy density?

Via MD simulations we have calculated integral capacitance for one electrode in a super capacitor system. Is it possible to calculate the energy density using this?

05 December 2023 1,845 1 View

How to see if charges are equilibriated during LAMMPS simulation?

I am simulating electrode electrolyte system in a simulation box ,I want to know if charges are equilibriated or not , also find out the density of the bulk electrolyte , how can I do that ?

06 July 2023 6,774 0 View