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Dr Igor Rončević is Lecturer in Comp & Theoretical Chemistry in the Department of Chemistry at the University of Manchester. His research employs theory, primarily toy models, and computation ranging from density functional theory to quantum computer-friendly algorithms to understand molecules and materials and generate predictions about them. He focuses on two broad areas: the electronic structure of π-conjugated systems, which exhibit tuneable optical properties and quantum behaviours such as induced ring currents, quantum interference and length-independent conductance, and modern physical-organic chemistry, including dynamic processes governed by non-statistical effects or external forces such as electric fields or mechanochemical forces.
Rončević collaborates with groups in organic synthesis, scanning probe microscopy and quantum computing. His work addresses questions about the maximum size of molecules exhibiting quantum behaviour, new topologies for exotic phases, spin communication through aromatic motifs, single-molecule devices leveraging quantum interference, and the role of topology or spin as switchable degrees of freedom. He previously held positions including MSCA fellow at the University of Oxford. Key recent publications include co-authored papers in Science on a molecule with half-Möbius topology (2026) and on-surface synthesis of cyclocarbons, as well as contributions to Nature and the Journal of the American Chemical Society on topics such as anti-aromatic carbon allotropes and aromaticity in porphyrin systems.
Explore the University of Manchester's role in synthesizing the first half-Möbius C13Cl2 molecule, verified via quantum computing and published in Science. Implications for materials and quantum research.
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