Langevin Dynamics of Polymer Translocation

During my early PhD studies I focused on molecular dynamics simulations of DNA in Gromacs and an efficient implementation of multigrid methods. Later, I started developing a C++/Fortran code to model the transport of biomolecules in micro-devices under elektrokinetic flows. I developed a
novel hybrid method that combines Langevin dynamics for a bead-spring DNA model, and a finite-difference discretization of the governing PDE equations on overlapping grids. The method was applied to the translocation
of DNA through entropic traps and nanopores. I paid special attention to the efficient discretization of Landau-Lifshitz Navier-Stokes equations. The results were presented at the annual meeting of the American Physical Society Division of Fluid Dynamics.