Experimental & Computational Catalysis Researcher · DFT · MD · AI/ML · Open to New Roles
“Bridging experimental characterisation and high-performance computation to advance hydrogen production and CO₂ valorisation.”
I'm an experimental and computational catalysis researcher — bridging hands-on heterogeneous experimentation with high-performance modelling (DFT, molecular dynamics, and AI/ML) to design low-carbon hydrogen and CO2 utilisation pathways. Over eight years across Pakistan, China, and Morocco, I've shipped reactor innovations, mentored multinational teams, and built data-driven workflows that accelerate catalyst discovery from concept to pilot scale.
Built agentic AI tooling for autonomous catalyst screening at UM6P (Jan 2025 – May 2026), focusing on zeolite-based biomass valorisation, high-pressure autoclave experiments, and DFT/MD-driven catalyst discovery workflows. Currently open to new research positions and collaborations.
From CAD drawings in Lahore to HPC-driven catalyst discovery in Ben Guerir — a timeline of work in computational and experimental catalysis.
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Open-source utilities built across Python, Rust, and emerging agentic-AI stacks.
Pressure-parameter calculator for high-pressure autoclave experiments — keeps biomass and catalytic runs within safe operating envelopes.
Scientific publication downloader and corpus builder — turns OpenAlex queries into mineable text bodies for large-scale literature analysis.
Rust-based molecular-modelling toolkit. Fast DFT pre/post-processing, leveraging Rust's zero-cost abstractions for crystallographic workloads.
Agentic AI framework for scientific workflows — automated catalyst screening, literature-informed hypothesis generation, and tool use across DFT pipelines.
Open to postdoc and senior research roles in computational catalysis, hydrogen, and AI for science. Happy to discuss consulting, code, or coffee.