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Henry Rzepa is a prominent figure in the field of computational chemistry, primarily affiliated with the Department of Chemistry at Imperial College London. His research focuses on the modeling of molecular shapes, properties, and reactions, particularly in the area of polymerization processes such as the key transition state of catalytic polymerization of lactide into polylactide. This research contributes to the development of bio-sustainable polymers. Rzepa has utilized advanced quantum mechanical methods, specifically density functional calculations, to obtain precise insights into chemical reaction mechanisms. His collaborative work has led to significant publications exploring novel aromaticity properties, including the categorization of helical aromatics based on Mobius topologies. Rzepa has been a pioneer in presenting chemical information through interactive web technologies, enhancing public accessibility to complex molecular structures and research. Throughout his career at Imperial College London, he held the position of Professor of Computational Chemistry from 2004 to 2014, shaping the academic landscape with his extensive contribution to both research and education in the domain.
Specialisms available in Materials for the Energy Transition or Theory and Simulation of Materials.