Research Experience
2021–2022 Graduate student,
"First-principle investigation for anode material for beyond Li-ion batteries, focusing on designing low-dimensional anodes for Na-ion batteries",
Indian Institute of Technology, Ropar, India
Advisor: Prof. T. J. Dhilip Kumar
Experience with Theoretical Models, Methods & Packages
- Models & methods: Density functional theory (DFT), density functional perturbation theory (DFPT), nudged elastic band method (NEB), growing string method, classical and ab initio molecular dynamics simulations, Quasi-Harmonic Approximation
- GUI and Python modules: Pymatgen, ASE, VASPKIT code, baderVis, VTST tools, VESTA, VMD, sumo, pyband, Aimstools, GIMS, Phonopy, aimsChain
- DFT-based Packages: VASP, FHI-aims, FHI-vibes, i-PI, Gaussian, GaussView, Critic2, Material Studio, Avogadro, CP2K, and GROMACS
- Technical skills: Anaconda, Python, Bash/Shell scripting, LaTeX
- Architectures: Linux, Mac, Windows