Murugesh Thangadurai

WORK HISTORY

EDUCATION

ABOUT MURUGESH THANGADURAI

I am a materials science researcher specializing in computational materials design and DFT‑based modeling of functional and energy‑relevant materials. My work focuses on understanding how atomic‑scale interactions shape real‑world material performance, especially in systems critical for sustainable energy technologies.In my current role as a Research Assistant at the University of Bayreuth, I am working on predicting synthesis temperature and pressure of Ni‑rich NCM (Nickel‑rich layered cathode materials) using advanced DFT calculations and thermodynamic modeling. This research aims to provide atomistic insights that guide optimized synthesis routes, improve phase stability, and accelerate the development of next‑generation battery materials.My broader experience spans ferroelectrics, photocatalysts, electrocatalysts, and electronic structure calculations using VASP and Quantum ESPRESSO. I enjoy bridging theory and experiment, using computational tools to answer practical materials questions.