Ionic Liquid Applications in Supercapacitors using MD simulations

Utilizing Lammps to understand Ionic liquids in different electrode structures under varying conditions (i.e different potential differences). From these simulations,  we hope to understand the charge density profiles and structuring nature of the ionic liquid.  Capacitance and diffusion (ionic mobility) are also some important properties that allow us to quantify and compare different electrode and ionic liquid combinations. The aim is to determine a system that maximizes both capacitance and diffusivity.

Marsel has come from a background in Applied Mathematics- working on the diffusivity of nanoparticles into pores of varying potentials (harmonic and "w" in particular). He has experience in developing MD simulations and also working with Lammps. His most recent work targets  Supercapacitors, which involves calculating capacitance, charge density profiles and diffusivity profiles.