I employ multiscale molecular simulation techniques and theory from equilibrium and non-equilibrium statistical mechanics to study intriguing physical, biological and chemical processes. My research is broadly devoted to measure statistical properties of matter and elucidate governing thermodynamics of biophysical phenomena at the nanoscale.
I study the charge transport properties of nucleic acids using multiscale modeling computational techniques involving all-atomistic MD simulations, ab-initio DFT calculations, NEGF calculations, and Machine Learning techniques. I explore the exciting world of single-molecular electronics on my computer!
Thesis title: Surface Adsorption of Dendrimers: Structure, Interactions at Graphene/Water Interface and Applications in Supercapacitors.
Soft Condensed Matter Physics
Non equilibrium Statistical mechanics, DNA nanotechnology, MD Simulation, Charge Transport Simulation
Supported lipid Membrane and nano-particle interactions
Thesis title: Understanding DNA based nanostructures using molecular simulations.
Condensed Matter Physics
I implement molecular modeling techniques to perform protein structure modeling, understand the HIV-1 gp41 mediated fusion of human membrane, calculate the binding-free energies, explore the interaction of proteins on biomaterials, understand the scanning mechanism of eukaryotic ribosome, etc.