About me
"Advancing sustainable energy solutions through computational catalysis and hydrogen production research"
I am a computational catalysis researcher blending heterogeneous experimentation with high-performance modelling (DFT, MD, AI/ML) to design low-carbon hydrogen and CO₂ utilisation pathways. I deliver reactor innovations, cross-functional collaborations, and data-driven workflows that accelerate catalyst discovery from concept to pilot scale.
Currently serving as a Postdoctoral Researcher at University Mohammed VI Polytechnic (UM6P) in Morocco, I steer multi-institutional hydrogen production and CO₂ valorisation programmes, building automated computational pipelines on HPC clusters and deploying machine learning tools to reduce experimental screening time by ~40%.
Research Expertise
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Computational Catalysis
Density Functional Theory (DFT), Molecular Dynamics, and Microkinetic Modeling using Quantum ESPRESSO, VASP, Gaussian, LAMMPS, Cantera, and CHEMKIN.
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Hydrogen Production
Development of sustainable hydrogen production pathways through photocatalysis and thermochemical processes, with focus on catalyst design and reactor optimization.
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Machine Learning in Chemistry
Deploying ML and LLM tools for catalyst formulation screening, reducing experimental time and accelerating discovery of optimal materials for energy applications.
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Experimental Catalysis
Expertise in XRD, XPS, Raman, BET, SEM/EDS characterization; Sol-gel and CVD synthesis; CO oxidation and photocatalysis testing.
Academic Achievements
Research Interests
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Hydrogen Production -
CO₂ Valorization -
Heterogeneous Catalysis -
Photocatalysis -
Machine Learning in Chemistry