Research Interests

My current research area includes studying adsorption and desorption (capture) of methane over nanomaterials like graphene oxide and Carbon Nanotubes using simulation methods. Presently I am using Grand Canonical Monte Carlo and Molecular Dynamics simulations to study the adsorption isotherms and diffusion coefficient.

Current Projects

Study capture of methane on nanomaterials using GCMC and MD simulations.

Software and Programming

C++, Python, Java, and MATLAB for computational modeling.

Materials Studio, LAMMPS, GROMACS, and NAMD for performing molecular dynamics simulations.

VMD, OVITO as molecular dynamics trajectory analysis tools.

Use of MS Excel, Power BI, Pandas, Matplotlib, and scikit-learn for data analytics.