peymanDr. Peyman Z. Moghadam



T: +44 (0)114 222 8259


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I joined the Department of Chemical and Biological Engineering at the University of Sheffield in November 2018. Prior to joining Sheffield, I was the Head of the computational group at the Adsorption and Advanced Materials Lab at the University of Cambridge for three years.

From 2013-2015, I did a postdoc with Professor Randall Snurr at Northwestern University after completing my PhD at the University of Edinburgh. Over the past 10 years, I have closely worked with companies such as Shell, BP, Honeywell UOP and Honda on developing porous materials for different gas adsorption and separation applications.

My research is focused on the combination of molecular/process-level simulations and big data science to discover and engineer next generation nanoporous materials for adsorption separation, sensing and energy storage applications.



Design and Discover the Next Generation of Nanoporous Materials

Research Areas

Materials Database Generation, High-throughput Simulations, Adsorption and Separation of Valuable Chemicals (e.g. BTEX, Hexane isomers), Energy Storage, Toxic Chemicals Sensing/Capture

Computational Methods

Monte Carlo, Molecular Dynamics and Quantum Mechanical Calculations. Big Data Techniques and Analysis, Machine Learning.


Highlighted publications

Moghadam PZ, Islamoglu T, Goswami S, Exley J, Fantham M, Kaminski CF, Snurr RQ, Farha OK & Fairen-Jimenez D (2018) Computer-aided discovery of a metal–organic framework with superior oxygen uptake. Nature Communications, 9(1)

Moghadam PZ, Li A, Wiggin SB, Tao A, Maloney AGP, Wood PA, Ward SC & Fairen-Jimenez D (2017) Development of a Cambridge Structural Database Subset: A Collection of Metal–Organic Frameworks for Past, Present, and Future. Chemistry of Materials, 29(7), 2618-2625. RIS download Bibtex download

Full list of publications