Dr. Muhammad Fahad Arshad
Advancing sustainable energy solutions through computational catalysis and hydrogen production research
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
Affiliations
- University Mohammed VI Polytechnic (UM6P)
- Chinese Academy of Sciences (CAS)
- CAS–TWAS Fellowship
- University of Chinese Academy of Sciences (UCAS)
Land & Context Acknowledgment
This research is conducted at University Mohammed VI Polytechnic, located in Ben Guerir, Morocco. We acknowledge the rich scientific heritage of this region and commit to advancing knowledge that benefits both local communities and the global pursuit of sustainable energy solutions.