People
Mahdi conducts experimental research on advanced functional materials for energy applications.
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Mahdi holds a BSc in Chemical Engineering from Razi University and an MSc in Energy Systems Engineering from the University of Tehran, Iran. His Master’s research focused on MOF-derived functional materials and their electrocatalytic applications in energy conversion. He also worked as a research assistant in the Hydrogen and Fuel Cell Laboratory, investigating advanced materials, including metal-organic frameworks (MOFs), zeolitic imidazolate frameworks (ZIFs), and carbon-based nanomaterials. His research interests include advanced functional materials, electrochemistry, machine learning, and sustainable energy technologies. His current PhD research in the SUSAS Group combines experimental and computational approaches to investigate functional materials for energy applications.
Zirou uses molecular modelling and computational simulations to investigate the properties and behaviour of advanced functional materials.
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Zirou holds a BSc from Sichuan Normal University and an MSc from Central South University, China. Her previous research focused on computational materials science and interfacial chemistry, particularly adsorption, hydration, and interfacial reactions in calcium-silicate systems. She has experience in density functional theory (DFT), reactive molecular dynamics simulations, and the development of machine-learning interatomic potentials. Her research interests include molecular modelling, ion transport, interfacial chemistry, machine-learning interatomic potentials, and structure-property relationships in functional materials. Her current PhD research in the SUSAS Group focuses on computational investigations of advanced functional materials.
Erfan focuses on multiscale modelling of advanced functional materials, bridging molecular and mesoscale simulations.
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Erfan holds a BSc in Chemical Engineering and an MSc in Environmental Engineering from Sharif University of Technology, Iran. His research at Sharif focused on photocatalytic materials and electrochemical approaches to pollutant removal. He also holds an MSc in Water and Environmental Engineering from Brunel University London, where he gained experience in environmental modelling and machine learning. His research interests include computational materials science, molecular simulations, machine learning, electrochemistry, and sustainable energy technologies. His planned PhD research in the SUSAS Group focuses on multiscale modelling of advanced functional materials, bridging molecular and mesoscale simulations.
University of Limerick
Research visit focused on computational modelling of metal-hydrogen systems and machine-learning potentials, September 2026.
Joshua is developing machine learning models to investigate and predict the properties and behaviour of advanced materials.
Rian is developing machine learning models to investigate and predict key properties relevant to the pharmaceutical industry.
TBA
Worked on a computational study of gas adsorption in porous materials.
Developed drug delivery systems, using multiscale modelling.
Worked on the design of a drug delivery system for cancer treatment using multiscale modelling.
