Shubham Sharma

I am a Research Intern at IHub-Data, IIIT Hyderabad working under Prof. U. Deva Priyakumar on Machine learning based MD Simulation.

My research focus is on Multiscale Modelling of Soft Matter Physics and ML based MD simulations.

In 2021, I completed my MSc. Physics at Indian Institute of Technology Jodhpur where I was advised by Prof. Santosh Mogurampelly.
I obtained my Bachelor's degree in Physics from Ramjas College, University of Delhi.

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[MSc Thesis] Molecular Dynamics Study of Effect of Plasticizers on Ion Transport in Polyethylene Oxide (PEO)-LiTFSI Electrolytes for Li-ion Batteries

Performed molecular dynamics simulation on SPE (i.e. poly(ethylene oxide)) consisting of LiTFSI salt and SN plasticisers.

Calculated the ion diffusivity and explained the ion transport mechanism using ion-pairing and polymer segmental motion of PEO chains.

Molecular Dynamics Simulations of Water using LAMMPS

Plotted the Radial distribution function and mean square displacement of oxygen-oxygen atom

Calculated the diffusion coefficient of water in the 2fs using Density Functional Theorey (DFT)

"Nothing in life is to be feared, it is only to be understood." - Marie Curie

Design and Source code from Jon Barron's website.

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