PhD/MPhil in Chemistry - Theoretical and Computational Chemistry in Cardiff United Kingdom | Cardiff University

The School of Chemistry has established significant expertise in Theoretical and Computational Chemistry, housing a specialized research team focused on this dynamic field. Students enrolled in the Chemistry (PhD/MPhil) program have the opportunity to pursue their research projects within this group. The team comprises four faculty members who specialize in theoretical and computational approaches, alongside other researchers employing modeling techniques. Their work spans diverse applications, including surface adsorption and reactivity in oxides and metals, microporous materials analysis, organic reaction mechanisms, biomolecular structure-function relationships, proton dynamics in solutions, drug-receptor interaction simulations, phase transformation studies, solid-state reactions, transport phenomena, and material property prediction. Participants in this research area will develop comprehensive knowledge of the core physical principles underlying chemical processes. The program also emphasizes valuable technical skills such as programming, utilization of high-performance computing systems, and advanced mathematical and numerical analysis methods.