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About Me

Researcher in computational materials science, machine learning, and energy materials

Researcher in computational materials science, machine learning, and energy materials
About Me

Researcher in computational materials science, machine learning, and energy materials

I am a Ph.D. candidate in Mechanical Engineering with a background in physics, computational materials science, high-performance computing, and machine learning.
Projects

Research Areas

Computational materials science, deep learning, scientific computing, DFT, and finite element modeling.

Recognition

Outstanding Ph.D. Researcher of the Year 2025, Mech. & Aero. Eng. Department Utah State University.

Technical Breadth

HPC, deep learning, atomistic simulations, scientific computing, and free software advocate.

Academic Journey

Education

2021 – 2026

Ph.D. in Mechanical Engineering

The University of Oklahoma

Thesis focused on optimization of energy storage materials through ab-initio calculations and deep learning techniques in materials science.

2017 – 2019

M.S. in Physics

Pondicherry University

Specialization in computational and condensed matter physics, with M.S. thesis on strontium doped copper ferrite nanoparticles.

2014 – 2017

B.S. in Physics

Pondicherry University

Minor in Mathematics and Chemistry.

Professional Path

Research & Work Experience

Aug 2025 – Present

Ph.D. Candidate

University of Oklahoma

Worked on graph VAEs, Li-ion diffusion modeling, DFT-NEB-based migration barrier data generation, and generative diffusion approaches for MXene-enabled electrodes.

May 2025 – Aug 2025

Research Intern – Scientific Computing & AI

Idaho National Laboratory

Implemented and optimized hp-adaptivity in finite element frameworks including LibMesh and MOOSE for high-performance scientific computing.

Sept 2021 – May 2025

Graduate Research Assistant

Utah State University

Developed Random Forest based predictive models for elemental diffusion coefficient in alloys, CO2RR DFT modeling for Ni-Mb nanoparticles based catalyst etc.

May 2023 – Aug 2023

Research Intern

Idaho National Laboratory

Studied helium evolution and lattice thermal conductivity changes in \u03b2-Ga2O3 under irradiation using DFT and phonon-based simulation workflows.

Highlights

Achievements

Outstanding Ph.D. Researcher of the Year

Recognized by the Department of Mechanical and Aerospace Engineering at Utah State University in 2024.

Capabilities

Skills & Tools

Programming

  • Python
  • C / C++ / FORTRAN*
  • PHP / JavaScript / SQL
  • Laravel environment

Scientific Computing

  • Linux & HPC clusters
  • PyTorch / TensorFlow
  • Graph neural networks
  • Autoencoders / diffusion models
  • Finite element methods

Modeling & Materials

  • DFT: VASP, Quantum Espresso
  • Molecular dynamics: LAMMPS, CP2K
  • CALPHAD
  • PhonoPy / ShengBTE
  • XRD, SEM, TEM, AFM, Raman

Team

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No team members found.