Research Interests

My research interests are both broad and specialized, primarily focusing on computational studies of soft matter systems. Currently, I am on the verge of completing a project on the dynamics of polystyrene oligomers in the presence of graphene in a toluene solvent.

I am also excited about exploring other areas such as CO₂ adsorption in nanoporous materials and hydrogen adsorption in various nanostructures, including modified or decorated carbon nanotubes and graphene. My interests further extend to nano confinement, nano materials, and polymer nano composites.

Current Projects

• Dynamics of polystyrene oligomer in presence of graphene sheet in toluene solvent.
• Hydrogen storage study in modified carbon nano-tubes.

Scholarships

• Awarded scholarship for Schrödinger's Molecular Modeling for Materials Science Applications: Organic Electronics course, October 2023 session.

Software and Programming languages

C, tcl scripting, python, and MATLAB for computational modeling.

NAMD, GROMACS, LAMMPS, Materials Studio for performing molecular dynamics simulation.

VMD, OVITO molecular dynamics trajectory analysis tools.

Code Repositories

Below you can find the simulation codes I've developed or contributed to. Click on a repository to explore its contents.

• Convenience Codes
• MD-related Codes

Simulation Videos