Research
Computational design of novel catalysts and materials for energy conversion and storage using density functional theory (DFT), molecular dynamics simulations, and machine learning for:
1. Plasma catalysis toward CO₂/NOₓ/biomass conversion.
2. Electrocatalysis for CO₂/NOₓ/biomass conversion.
3. Direct air CO₂ capture.
4. Sustainable aviation fuel properties pre-screening.
5. Functional materials: Carbon nano dots, quantum materials, thermoelectric materials, and superconductors.
Research grants
Computational Characterization, Modelling, and Design of Carbon Dots
LEVERHULME TRUST (UK)
February 2024 - December 2025