Curriculum Vitae

About

I'm a PhD student at IIT Delhi working in computational materials science, using first-principles methods, molecular dynamics, and machine learning to study soft semiconductors at the atomic level. My research broadly examines how structure shapes carrier dynamics, defects, and excited-state processes, with a wider interest in data-driven materials discovery.

Education

PhD in Chemistry

Indian Institute of Technology, Delhi

2023 – Present

Supervisor: Prof. Dibyajyoti Ghosh
Focus: Computational Materials Designing for Energy Applications

MSc in Chemistry

Indian Institute of Technology, Jodhpur

2021 – 2023

Supervisor: Dr. Rakesh Kumar Sharma
Thesis: "Chiral Calix[4]arene appended organocatalysts for asymmetric Strecker Reaction"

B.Sc.

Kishan Lal Public College, Indira Gandhi University, Haryana

2018 – 2021

Graduated with distinction

Research Experience

PhD Research

IIT Delhi | Prof. Dibyajyoti Ghosh

2023 – Present

Investigating charge-carrier dynamics, defects, and excited-state processes in halide perovskites and chalcogenides using first-principles methods and machine learning. Developing high-throughput computational pipelines for materials discovery.

Master's Research

IIT Jodhpur | Dr. Rakesh Kumar Sharma

July 2022 – May 2023

Designed and synthesized chiral organocatalysts for asymmetric synthesis.

Skills

Computational Methods

DFT TDDFT Ab-initio MD NAMD GW/BSE Phonon Calculations

Software & Codes

VASP Gaussian Quantum ESPRESSO LAMMPS

Machine Learning

Random Forest XGBoost SVM ANN GNN SHAP Feature Engineering

Programming

Python Bash MATLAB Linux/HPC Git

Materials Informatics

Pymatgen ASE Materials Project API High-throughput Screening

Awards & Honors

Kawazoe Best Poster Award

ICMG-IV 2026

4th International Conference on Materials Genome.

Young Researcher Award

E-MRS 2025 Fall Meeting

European Materials Research Society Fall Meeting, Warsaw.

Silver Award – Abstract Writing Competition

In-house Symposium, IIT Delhi 2025

Department of Chemistry annual symposium.

Best Poster Award

In-house Symposium, Department of Chemistry, IIT Delhi